SCHEMBL17804033

SCHEMBL17804033

CCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@H](COP(=O)(OC)OC)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 5/20 0.48
▸ TP53 P04637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMPD1 P17405 1/20 0.38
▸ S1PR4 O95977 2/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ S1PR5 Q9H228 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ TSPO P30536 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ASAH2 Q9NR71 2/20 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
SCHEMBL15941659 0.86 PLA2G4A (0.60) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL15948851 0.86 PLA2G4A (0.60) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL12451647 0.85 MAPT (0.51) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL12451634 0.85 PLA2G4A (0.41) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL15887073 0.75 PLA2G4A (0.47) PLA2G4ATP53CYP1A2CYP2D6MAPT
SCHEMBL17522133 0.74 PLA2G4A (0.46) PLA2G4A
SCHEMBL10025150 0.70 MAPT (0.74) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL20830129 0.70 CA1 (0.40) PLA2G4ACYP2D6SMPD1
SCHEMBL6419171 0.70 MAPT (0.74) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL6410388 0.70 MAPT (0.74) TP53CYP1A2CYP2D6MAPTCYP2C9

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-9359389-B2 Caged ceramide-1-phosphate derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-06-07 — — US disclosed
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