SCHEMBL8938008

SCHEMBL8938008

O=P(Cc1cccc2ccccc12)(OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.50
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTGS2 P35354 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 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
SCHEMBL8938043 0.86 ACP3 (0.54) ACP3CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL7295893 0.80 ACP3 (0.47) ACP3CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL1773883 0.76 ACP3 (0.57) ACP3CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL7297203 0.76 ACP3 (0.43) ACP3KMT2AFFAR1AKR1B1PARP10
SCHEMBL8167782 0.72 ACP3 (0.61) ACP3CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL27042407 0.71 ACP3 (0.51) ACP3CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL2303485 0.68 GPR84 (0.54) ACP3CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL6131123 0.68 MAPT (0.58) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL17333287 0.67 ACP3 (0.53) ACP3CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL21296202 0.67 MC5R (0.67) CYP1A2CYP2C19ALDH1A1MEN1KMT2A

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-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed