SCHEMBL4653095

SCHEMBL4653095

CCCCCS(=O)(=O)c1ccc(-c2sc3cc(S(=O)(=O)CCCCC)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.70
ESR2 Q92731 11/20 0.70
ENPP3 O14638 5/20 0.69
ENPP1 P22413 5/20 0.68
ABCC1 P33527 1/20 0.65
STS P08842 1/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
TP53 P04637 2/20 0.65
CYP3A4 P08684 2/20 0.65
MAPT P10636 2/20 0.65
ALOX15 P16050 2/20 0.65
KMT2A Q03164 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
PLD2 O14939 1/20 0.65
KDM1A O60341 1/20 0.65
NR1I2 O75469 1/20 0.65
USP2 O75604 1/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8042270 0.99 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL8442470 0.99 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4653105 0.99 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4651812 0.98 ESR1 (0.71) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4651711 0.97 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
Hydrochloric Acid SCHEMBL7946095 0.96 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4650889 0.94 ESR1 (0.66) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL8437216 0.94 ENPP3 (0.72) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4651801 0.94 ESR1 (0.75) ESR1ESR2ABCC1STSMEN1
Hydrochloric Acid SCHEMBL7946173 0.93 ESR1 (0.74) ESR1ESR2ABCC1STSMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124311-A ADMINISTERING ONCOLYTIC AGENT WITH ENHANCED MULTIDRUG RESISTANCE REVERSING AMOUNT OF SPECIFIED COMPOUND ELI LILLY AND COMPANY (US) 2000-09-26 US claimed
EP-0617030-B1 Sulfonate and carbamate derivatives of 3-aroylbenzo (beta) thiophenes LILLY CO ELI (US) 1999-05-26 EP claimed
EP-0716854-A2 Compositions for inhibiting neuropeptide y receptors ELI LILLY AND COMPANY (US) 1996-06-19 EP claimed
WO-1996012488-A1 BICYCLIC BRADYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO claimed
EP-0709090-A2 Compositions for treating resistant tumors ELI LILLY AND COMPANY (US) 1996-05-01 EP claimed
WO-1996011677-A1 METHODS FOR TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-04-25 WO claimed
EP-0707852-A2 Bicyclic bradykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-04-24 EP claimed
US-5482949-A INHIBITING BONE LOSS, LOWERING CHOLESTEROL LEVELS, AND TREATING ESTROGEN DEPENDENT MAMMARY OR UTERINE CARCINOMA ELI LILLY AND COMPANY (US) 1996-01-09 US claimed
EP-0617030-A1 Sulfonate and carbamate derivatives of 3-aroylbenzo (beta) thiophenes ELI LILLY AND COMPANY (US) 1994-09-28 EP claimed
EP-1093803-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-09-17 EP disclosed
WO-2007077333-A2 USE OF A NEUROPEPTIDE Y ANTAGONIST FOR DAMAGED OR SENSITIVE LIPS L'OREAL (FR) 2007-07-12 WO disclosed
EP-0838217-B1 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI SYNTHELABO (FR) 2003-01-15 EP disclosed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
EP-1132463-A2 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-09-12 EP disclosed
WO-1996012488-A1 BICYCLIC BRADYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO disclosed
EP-0709090-A2 Compositions for treating resistant tumors ELI LILLY AND COMPANY (US) 1996-05-01 EP disclosed
WO-1996011677-A1 METHODS FOR TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-04-25 WO disclosed
EP-0707852-A2 Bicyclic bradykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed
US-5482949-A INHIBITING BONE LOSS, LOWERING CHOLESTEROL LEVELS, AND TREATING ESTROGEN DEPENDENT MAMMARY OR UTERINE CARCINOMA ELI LILLY AND COMPANY (US) 1996-01-09 US disclosed
EP-0617030-A1 Sulfonate and carbamate derivatives of 3-aroylbenzo (beta) thiophenes ELI LILLY AND COMPANY (US) 1994-09-28 EP disclosed