SCHEMBL8569229

SCHEMBL8569229

COC(=O)c1ccc(C#Cc2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.46
CNR2 P34972 4/20 0.46
S1PR1 P21453 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.44
RARA P10276 3/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL8615102 0.90 RARA (0.48) FAAHCNR2S1PR1SMN1; SMN2MEN1
SCHEMBL9121371 0.89 FAAH (0.49) FAAHCNR2S1PR1SMN1; SMN2MEN1
SCHEMBL8567959 0.86 FAAH (0.43) FAAHCNR2S1PR1SMN1; SMN2MEN1
SCHEMBL8572221 0.86 RARA (0.55) CNR2S1PR1MEN1KMT2AMAPT
SCHEMBL8568570 0.84 RARA (0.43) CNR2S1PR1MEN1KMT2ALMNA
SCHEMBL8572694 0.84 RARA (0.43) CNR2S1PR1MEN1KMT2ALMNA
SCHEMBL8574242 0.83 RARA (0.47) CNR2S1PR1MEN1KMT2ALMNA
SCHEMBL8574873 0.83 PPARG (0.46) FAAHCNR2MEN1KMT2ALMNA
SCHEMBL8570912 0.83 PPARG (0.46) FAAHCNR2MEN1KMT2ALMNA
SCHEMBL8570423 0.83 RARA (0.59) CNR2S1PR1MEN1KMT2ALMNA

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 disclosed
US-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US disclosed