SCHEMBL8907772

SCHEMBL8907772

COc1cc(OCc2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARG P37231 4/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.45
PARP10 Q53GL7 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
FFAR1 O14842 1/20 0.42
RXRA P19793 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL9194990 0.87 RARG (0.52) PARP15PPARGRAB9ASMN1; SMN2RXRA
SCHEMBL4943007 0.80 MAOB (0.58) MEN1KMT2ASMN1; SMN2MAOBHTT
SCHEMBL31336015 0.80 MAOB (0.58) MEN1KMT2ASMN1; SMN2MAOBHTT
SCHEMBL8907762 0.79 L3MBTL1 (0.49) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL9350492 0.79 ALDH1A1 (0.61) PPARGRXRA
SCHEMBL9263958 0.79 MAOB (0.51) PPARGMAOBMAPTRXRA
SCHEMBL9261830 0.79 MAOB (0.46) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL11280271 0.79 MAOB (0.58) PARP15MEN1KMT2AKDM4ENPC1
SCHEMBL3191667 0.79 MAOB (0.58) PARP15MEN1KMT2AKDM4ENPC1
SCHEMBL8907967 0.77 CYP26A1 (0.56) PPARGMAOBMAPTRXRA

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-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed
US-5476860-A Diaromatic compounds derived from a salicylic unit and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD GALDERMA) (FR) 1995-12-19 US disclosed