SCHEMBL6178532

SCHEMBL6178532

[CH2]COCCCCCOCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.42
SPHK2 Q9NRA0 1/20 0.42
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32
LPAR1 Q92633 7/20 0.31
LPAR3 Q9UBY5 7/20 0.31
LPAR5 Q9H1C0 4/20 0.31
LPAR2 Q9HBW0 4/20 0.31
LPAR6 P43657 3/20 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
SCHEMBL6176228 1.00 SPHK1 (0.42) SPHK1SPHK2USP2HTTPRKD3
SCHEMBL8048384 0.93 SPHK2 (0.37) SPHK1SPHK2HSD17B10
SCHEMBL4885072 0.87 HSD17B10 (0.33) SPHK1SPHK2HSD17B10
SCHEMBL10119365 0.87 SPHK1 (0.44) SPHK1SPHK2USP2HTTPRKD3
SCHEMBL31086433 0.87 SPHK1 (0.44) SPHK1SPHK2USP2HTTPRKD3
SCHEMBL2152604 0.86 SPHK1 (0.39) SPHK1SPHK2USP2HTTPRKD3
SCHEMBL2152710 0.86 SPHK1 (0.39) SPHK1SPHK2USP2HTTPRKD3
SCHEMBL6654969 0.86 SPHK1 (0.39) SPHK1SPHK2USP2HTTPRKD3
SCHEMBL6650342 0.86 SPHK1 (0.39) SPHK1SPHK2USP2HTTPRKD3
SCHEMBL9149315 0.86 SPHK1 (0.39) SPHK1SPHK2USP2HTTPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed