SCHEMBL9799024

SCHEMBL9799024

CCCCCCCCCCCCCCCCc1cc(OCC(COP(=O)(O)OCCBr)Oc2ccon2)no1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLA2G2A P14555 4/20 0.33
PPARA Q07869 1/20 0.33
P2RY10 O00398 6/20 0.33
PLA2G2C Q5R387 1/20 0.32
GPR34 Q9UPC5 2/20 0.31
FABP3 P05413 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 1/20 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
SCHEMBL9531999 0.87 PLA2G4A (0.33) SMPD1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL9798660 0.84 PLA2G2C (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL9798672 0.84 PLA2G2C (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL9529530 0.82 PPARA (0.37) SMPD1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL9529528 0.82 PPARA (0.37) SMPD1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL9798991 0.78 GMNN (0.41) CYP2C9FABP3
SCHEMBL9798998 0.78 GMNN (0.41) CYP2C9FABP3
SCHEMBL9529484 0.77 SMPD1 (0.34) SMPD1PLA2G2APPARAP2RY10PLA2G2C
SCHEMBL9527787 0.77 PLA2G4A (0.35) SMPD1PPARAP2RY10PLA2G2C
SCHEMBL10771361 0.76 PPARA (0.36) SMPD1CYP1A2CYP2D6CYP19A1CYP2C9

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-5068340-A Antagonist of platelet activating factor for treatment of asthma, inflammation or shock SANKYO COMPANY, LIMITED (JP) 1991-11-26 US disclosed