SCHEMBL4564737

SCHEMBL4564737

CCCCc1ccc(OP(=O)(CCCO)CCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
S1PR1 P21453 8/20 0.43
S1PR3 Q99500 6/20 0.43
ENPP2 Q13822 1/20 0.43
PLK1 P53350 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
S1PR4 O95977 4/20 0.42
S1PR2 O95136 4/20 0.42
S1PR5 Q9H228 2/20 0.42

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
SCHEMBL4564981 0.95 S1PR1 (0.43) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL4564023 0.92 THRB (0.43) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL4564170 0.88 THRB (0.42) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL4564589 0.86 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNAS1PR1S1PR3
SCHEMBL4563900 0.81 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2LMNAS1PR1S1PR3
SCHEMBL1100483 0.79 BLM (0.54) ALDH1A1SMN1; SMN2S1PR1S1PR3ENPP2
SCHEMBL28649269 0.79 ENPP2 (0.53) ALDH1A1SMN1; SMN2S1PR1S1PR3ENPP2
SCHEMBL4563939 0.79 CYP3A4 (0.52) MEN1LMNACYP3A4KMT2AHPGD
SCHEMBL1592698 0.79 CYP3A4 (0.50) ALDH1A1SMN1; SMN2CYP3A4ENPP2PLK1
SCHEMBL28050911 0.78 BLM (0.53) ALDH1A1SMN1; SMN2S1PR1S1PR3ENPP2

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