SCHEMBL9500461

SCHEMBL9500461

CCCCOc1ccc(-c2ccccc2C(O)CC)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP19A1 P11511 3/20 0.37
CYP1A2 P05177 3/20 0.37

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
SCHEMBL9500468 0.96 PPARG (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9500333 0.95 PPARG (0.42) CYP2D6NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9498257 0.95 PPARG (0.42) CYP2D6NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9499035 0.95 PPARG (0.42) CYP2D6NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9869383 0.95 PPARG (0.42) CYP2D6NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9500250 0.95 PPARG (0.42) CYP2D6NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9501989 0.93 LMNA (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9500781 0.89 MAPT (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9500229 0.85 ROCK2 (0.39) CYP2C9CYP2C19CYP19A1CYP1A2CYP2D6
SCHEMBL9500050 0.85 CYP2A6 (0.44) NPC1L3MBTL1GRM5

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-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed