SCHEMBL11264360

SCHEMBL11264360

CCC(NC(=O)c1ccc(OC)c2c1OCCO2)c1ccc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.51
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLK1 P53350 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
KCNK3 O14649 6/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34

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
Oxalic Acid SCHEMBL11257317 0.97 KDM4E (0.48) KDM4EALDH1A1LMNAHSD17B10APOBEC3A
SCHEMBL11265571 0.85 HTR4 (0.38) KDM4EALDH1A1LMNAHSD17B10KCNK3
Hydrochloric Acid SCHEMBL11259264 0.84 HTR4 (0.37) KDM4EALDH1A1LMNAHSD17B10KCNK3
SCHEMBL11268139 0.82 KCNA5 (0.34) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL11356296 0.82 HTR4 (0.45) KDM4EALDH1A1LMNAHSD17B10CTNNB1
Hydrochloric Acid SCHEMBL11265733 0.81 HTR4 (0.44) CTNNB1WNT3AKCNK3
SCHEMBL11269162 0.79 KCNK3 (0.34) KDM4EALDH1A1LMNAHSD17B10GAA
SCHEMBL11265610 0.78 HDAC3 (0.43) KDM4EALDH1A1LMNAHSD17B10KMT2A
Water SCHEMBL11269892 0.77 HDAC3 (0.42) KDM4EALDH1A1LMNAHSD17B10KMT2A
Phosphoric Acid SCHEMBL11259901 0.76 HDAC3 (0.41) KDM4EALDH1A1LMNAHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US claimed
US-4323503-A PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1982-04-06 US disclosed
US-4306072-A ANXIOLYTIC AND PSYCHOSTIMULANT ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE (FR) 1981-12-15 US disclosed
US-4268512-A ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-05-19 US disclosed
US-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US disclosed
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US disclosed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US disclosed