SCHEMBL8938009

SCHEMBL8938009

O=C(c1ccccc1)C(C(=O)c1ccccc1)(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 1.00
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
PTPRC P08575 1/20 0.41
EPHX1 P07099 1/20 0.40
KIF11 P52732 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
KCNJ11 Q14654 1/20 0.39
PTK2B Q14289 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES1 P23141 1/20 0.38
CTNNB1 P35222 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL12260673 0.76 ACP3 (0.60) ACP3NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL16147542 0.76 ACP3 (0.60) ACP3NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL341944 0.73 PTPRC (0.69) ACP3PTPRCPTK2BL3MBTL1KDM4E
SCHEMBL10860781 0.73 ACP3 (0.57) ACP3CYP1A2PTPRCKIF11NR4A1
SCHEMBL3346090 0.68 ACP3 (0.61) ACP3PTPRCKIF11PTK2BL3MBTL1
SCHEMBL27300466 0.66 ACP3 (0.49) ACP3NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL11139360 0.66 ACP3 (0.49) ACP3NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4678773 0.66 KDM4E (0.53) ACP3NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4592424 0.66 KDM4E (0.53) ACP3NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7287554 0.66 KDM4E (0.53) ACP3NPC1CYP1A2CYP3A4CYP2D6

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