SCHEMBL8065602

SCHEMBL8065602

COc1cccc(CC2CCCCC2C(=O)OC(C(=O)c2ccc(C)cc2)c2ccc(C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
MMP13 P45452 1/20 0.40
FFAR1 O14842 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8055975 0.91 MEN1 (0.46) NPSR1LTB4RLTB4R2FFAR1MEN1
SCHEMBL3165178 0.75 GRM2 (0.50) NPSR1LTB4RLTB4R2FFAR1MEN1
SCHEMBL20285807 0.75 KMT2A (0.49) MMP13MEN1KMT2AALDH1A1CYP3A4
SCHEMBL4278427 0.70 ALDH1A1 (0.51) MMP13FFAR1MEN1KMT2APOLB
SCHEMBL7488792 0.70 KMT2A (0.57) MEN1KMT2APOLBMAPTNPC1
SCHEMBL17318429 0.69 CTSK (0.48) MMP13KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL17318403 0.69 MMP13 (0.58) MMP13KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL3159840 0.68 ALDH1A1 (0.54) POLBALDH1A1EED
SCHEMBL3166247 0.67 EED (0.49) LTB4RLTB4R2FFAR1POLBMAPT
SCHEMBL3104965 0.67 NPSR1 (0.52) NPSR1MEN1KMT2APOLBMAPT

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-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO disclosed