SCHEMBL9857790

SCHEMBL9857790

CCCCCCCCCCCCCCCCCCOC(=O)CCc1ccc(OP(Oc2ccc(CCC(=O)OCCCCCCCCCCCCCCCCCC)cc2C(C)(C)CC)Oc2ccc(CCC(=O)OCCCCCCCCCCCCCCCCCC)cc2C(C)(C)CC)c(C(C)(C)CC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 3/20 0.39
DGKA P23743 1/20 0.39
S1PR1 P21453 2/20 0.39
APP P05067 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HTR2C P28335 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
SCHEMBL9858148 0.93 P2RY10 (0.38) P2RY10DGKAS1PR1APPCYP1A2
SCHEMBL9172180 0.91 THRA (0.44) P2RY10DGKAS1PR1APPCYP1A2
SCHEMBL9173932 0.91 THRA (0.44) P2RY10DGKAS1PR1APPCYP1A2
SCHEMBL9167604 0.91 THRA (0.44) P2RY10DGKAS1PR1APPCYP1A2
SCHEMBL9170338 0.91 THRA (0.44) P2RY10DGKAS1PR1APPCYP1A2
SCHEMBL25266825 0.87 KMT2A (0.38) KDM4EALDH1A1HPGDHSD17B10THRA
SCHEMBL9172712 0.87 APP (0.41) P2RY10APPKDM4EALDH1A1THRA
SCHEMBL9858240 0.84 THRA (0.43) P2RY10DGKAS1PR1APPCYP1A2
SCHEMBL6155987 0.80 GAA (0.40) DGKAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL439039 0.79 DGKA (0.50) P2RY10DGKAS1PR1APPCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5077424-A Antioxidants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-12-31 US disclosed