SCHEMBL4459677

SCHEMBL4459677

O=CC(=O)P(=O)(O)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ANPEP P15144 2/20 0.40
LAP3 P28838 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BTN3A1 O00481 1/20 0.38

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
SCHEMBL29247935 0.79 SRC (0.64) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL10932381 0.78 SRC (0.61) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL4454749 0.75 NPSR1 (0.44) SRCKDM4EALDH1A1
Phenyl Dihydrogen Phosphate SCHEMBL11308301 0.73 SRC (0.91) SRCL3MBTL1TDP1CYP2C9CYP2C19
Phenyl Dihydrogen Phosphate SCHEMBL20263 0.72 SRC (1.00) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL4272051 0.72 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL6686008 0.72 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL37038 0.72 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19
Benzene SCHEMBL11142811 0.72 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL27676341 0.72 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19

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