SCHEMBL8570979

SCHEMBL8570979

COc1ccc(C#Cc2csc(C(=O)O)c2C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
CNR2 P34972 1/20 0.39
SLC16A3 O15427 1/20 0.39
HSD11B1 P28845 1/20 0.38
P2RX7 Q99572 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM3 Q14832 2/20 0.37
APP P05067 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8569804 0.87 EPHX2 (0.35) EPHX2CNR2P2RX7ALDH1A1APP
SCHEMBL8571816 0.81 EPHX2 (0.40) EPHX2P2RX2CNR2P2RX7SIGMAR1
SCHEMBL8570549 0.73 PPARG (0.45) EPHX2CNR2P2RX7ALDH1A1LMNA
SCHEMBL8693041 0.72 ALDH1A1 (0.45) EPHX2CNR2HSD11B1P2RX7ALDH1A1
SCHEMBL8570978 0.71 MEN1 (0.37) EPHX2CNR2LMNAKMT2A
SCHEMBL8570976 0.71 KMT2A (0.49) CNR2ALDH1A1LMNAKMT2A
SCHEMBL8691239 0.67 EPHX2 (0.39) EPHX2P2RX2CNR2HSD11B1P2RX7
SCHEMBL8691343 0.67 EPHX2 (0.46) EPHX2P2RX2CNR2P2RX7SIGMAR1
SCHEMBL8572204 0.67 RARB (0.40) CNR2GRM3LMNAKMT2A
SCHEMBL8617663 0.67 RARA (0.55) ALDH1A1LMNASMN1; SMN2KMT2A

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-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US claimed
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed