SCHEMBL7697797

SCHEMBL7697797

CN(C)CCOc1ccc(S(=O)(=O)C2CS(O)(O)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
STS P08842 1/20 0.41
HTR6 P50406 2/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 6/20 0.40
GBA1 P04062 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ESR2 Q92731 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
NR1I2 O75469 1/20 0.40
PRKD3 O94806 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
NR3C1 P04150 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40

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
Hydrochloric Acid SCHEMBL7158756 0.99 LTA4H (0.40) LTA4HSTSHTR6LMNAESR1
SCHEMBL7132896 0.89 CHRNB2 (0.43) LTA4HLMNAESR1MAPTKDM4E
SCHEMBL7697799 0.88 LTA4H (0.42) LTA4HSTSHTR6ESR1GBA1
Hydrochloric Acid SCHEMBL7160329 0.88 CHRNB2 (0.42) LTA4HLMNAESR1MAPTKDM4E
SCHEMBL7132102 0.87 KDM4E (0.45) LTA4HSTSHTR6LMNAESR1
SCHEMBL7689835 0.87 KDM4E (0.45) LTA4HSTSHTR6LMNAESR1
Hydrochloric Acid SCHEMBL7158750 0.87 LTA4H (0.41) LTA4HSTSHTR6ESR1GBA1
SCHEMBL7132185 0.85 TAAR1 (0.38) LTA4HHTR6ESR1ESR2CYP1A2
SCHEMBL7134425 0.85 GAA (0.35) LTA4HHTR6ESR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL7163840 0.84 CYP19A1 (0.37) LTA4HHTR6LMNAESR1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed