SCHEMBL9484152

SCHEMBL9484152

CCCCCCCCCCCCc1ccc2cccc(C=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
CDK1 P06493 1/20 0.45
CNR1 P21554 2/20 0.42
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL9484240 0.87 CYP1A2 (0.48) CDK1CYP1A2CYP2D6CYP2C19
SCHEMBL9770069 0.79 TLR8 (0.47) LPLLIPG
SCHEMBL18556152 0.79 CYP1A2 (0.49) LPLLIPGRORARORCRORB
SCHEMBL15565294 0.78 MTNR1A (0.55)
SCHEMBL5749294 0.78 PARP1 (0.49) LPLLIPG
SCHEMBL5747458 0.78 PARP1 (0.49) LPLLIPG
SCHEMBL10523809 0.78 KAT8 (0.50) LPLLIPGKAT8PPARA
SCHEMBL30589485 0.78 TLR8 (0.46) LPLLIPG
SCHEMBL5749553 0.78 PARP1 (0.49) LPLLIPG
Hexane SCHEMBL27689826 0.77 ALDH1A1 (0.42) CNR1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527175-A4 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0527175-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-17 EP disclosed
WO-1991017149-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed