SCHEMBL4564589

SCHEMBL4564589

CCc1ccc(OP(=O)(CCCO)CCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
BLM P54132 1/20 0.37
PLK1 P53350 1/20 0.36
SRC P12931 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PPARA Q07869 1/20 0.36
RAB9A P51151 1/20 0.36
FKBP1A P62942 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL4563900 0.95 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19POLBALDH1A1LMNA
SCHEMBL4564023 0.87 THRB (0.43) SMN1; SMN2CYP2C19ALDH1A1LMNAPLK1
SCHEMBL4564737 0.86 ALDH1A1 (0.43) SMN1; SMN2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL4563939 0.83 CYP3A4 (0.52) LMNAMAPTHPGD
SCHEMBL4564170 0.83 THRB (0.42) SMN1; SMN2CYP2C19ALDH1A1LMNAPLK1
SCHEMBL4564981 0.81 S1PR1 (0.43) SMN1; SMN2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL4564484 0.79 SRC (0.50) CYP2C19ALDH1A1SRC
SCHEMBL4564600 0.78 TSHR (0.50) LMNAMAPTHPGD
SCHEMBL1101448 0.74 CYP2C19 (0.72) SMN1; SMN2CYP2C19POLBALDH1A1RXRA
SCHEMBL2150400 0.74 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed