SCHEMBL8322247

SCHEMBL8322247

C=CCc1ccc(NC(C)=O)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
BRD4 O60885 3/20 0.52
KDM4E B2RXH2 3/20 0.52
PPIA P62937 1/20 0.50
MAPT P10636 1/20 0.49
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
C5AR1 P21730 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL4979237 0.81 GABRA1 (0.49) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL8677124 0.80 MEN1 (0.56) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL29954243 0.79 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL4481551 0.79 MEN1 (0.67) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL27675866 0.77 PTPN1 (0.45) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL8328185 0.77 PPIA (0.49) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL8328187 0.77 PPIA (0.49) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL9528336 0.77 MRGPRX4 (0.53) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL8459732 0.77 PTGER1 (0.66) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL8677127 0.76 RAB9A (0.56) CYP19A1CYP11B1CYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed