SCHEMBL8569800

SCHEMBL8569800

O=C(O)c1sc(C#Cc2ccccc2)c(O)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 2/20 0.34
P2RX7 Q99572 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
RARA P10276 2/20 0.33
IKBKB O14920 1/20 0.33
STS P08842 1/20 0.33
HNF4A P41235 1/20 0.33

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
SCHEMBL8570897 0.88 CNR2 (0.40) NPC1RAB9AMAPK1LMNAKDM4E
SCHEMBL8570978 0.84 MEN1 (0.37) NPC1RAB9AMAPK1LMNAEPHX2
SCHEMBL8574975 0.75 CNR2 (0.39) NPC1RAB9AMAPK1LMNAKDM4E
SCHEMBL8567757 0.72 HNF4A (0.46) FFAR1NPC1RAB9AMAPK1P2RX7
SCHEMBL8569804 0.70 EPHX2 (0.35) NPC1MAPK1P2RX7KDM4EEPHX2
SCHEMBL6770716 0.70 APP (0.41) FFAR1NPC1RAB9AP2RX7LMNA
SCHEMBL8571816 0.67 EPHX2 (0.40) P2RX7LMNAEPHX2KMT2ASMN1; SMN2
SCHEMBL6684731 0.66 LMNA (0.53) FFAR1NPC1RAB9ALMNAEPHX2
SCHEMBL8567726 0.66 CNR2 (0.41) P2RX7LMNAKDM4EEPHX2MEN1
SCHEMBL8570979 0.65 EPHX2 (0.40) P2RX7LMNAEPHX2KMT2ASMN1; SMN2

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