SCHEMBL995160

SCHEMBL995160

CCc1ccccc1P(=O)(O)O.Cc1ccccc1P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALPG P10696 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
SHBG P04278 1/20 0.36
PTGS2 P35354 1/20 0.36
ACP3 P15309 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL344617 0.90 PTK2B (0.46) PTK2BNPC1POLBALDH1A1RAB9A
Hydrochloric Acid SCHEMBL10824664 0.88 PTK2B (0.44) PTK2BNPC1POLBALDH1A1RAB9A
SCHEMBL31456137 0.86 PTK2B (0.44) PTK2BNPC1POLBALDH1A1RAB9A
SCHEMBL344017 0.86 PTK2B (0.44) PTK2BNPC1POLBALDH1A1RAB9A
Hydrochloric Acid SCHEMBL10916158 0.84 PTK2B (0.43) PTK2BNPC1POLBALDH1A1RAB9A
Water SCHEMBL7651796 0.84 PTK2B (0.43) PTK2BNPC1POLBALDH1A1RAB9A
SCHEMBL20526222 0.78 GABRA1 (0.44) PTK2BNPC1POLBALDH1A1GABRA1
SCHEMBL4037258 0.78 PTK2B (0.40) PTK2BNPC1POLBALDH1A1RAB9A
Phenylphosphonic Acid SCHEMBL3820670 0.77 CA2 (0.64) PTK2BNPC1POLBALDH1A1HPGD
SCHEMBL29616514 0.77 POLB (0.42) PTK2BNPC1POLBALDH1A1RAB9A

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
EP-2272913-A1 MANUFACTURING METHOD FOR POLYLACTIC ACID RESIN COMPOSITIONS Kao Corporation (JP) 2011-01-12 EP disclosed