SCHEMBL8569804

SCHEMBL8569804

O=C(O)c1scc(C#Cc2ccc(O)cc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
P2RX7 Q99572 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
CNR2 P34972 1/20 0.34
ALOX5 P09917 1/20 0.33
HSP90AA1 P07900 1/20 0.32
RARA P10276 3/20 0.31
RARB P10826 3/20 0.31
RARG P13631 2/20 0.31
NPC1 O15118 1/20 0.31
IKBKB O14920 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8570979 0.87 EPHX2 (0.40) EPHX2P2RX7CNR2KMT2AALDH1A1
SCHEMBL8569800 0.70 FFAR1 (0.35) EPHX2P2RX7MAPTRARARARB
SCHEMBL8569797 0.69 RARA (0.46) EPHX2MAPTGAARARARARB
SCHEMBL8571816 0.68 EPHX2 (0.40) EPHX2P2RX7CNR2KMT2AALDH1A1
SCHEMBL20178896 0.67 RARA (0.48) EPHX2MAPTGAACNR2RARA
SCHEMBL2709569 0.65 HIF1A (0.46) EPHX2MAPTGAARARARARB
SCHEMBL2709267 0.65 HIF1A (0.46) EPHX2NPC1MEN1KMT2AKDM4E
SCHEMBL8570976 0.65 KMT2A (0.49) CNR2RARARARBRARGIKBKB
SCHEMBL8570978 0.64 MEN1 (0.37) EPHX2CNR2RARARARBRARG
SCHEMBL8567757 0.63 HNF4A (0.46) EPHX2P2RX7MAPTGAARARA

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