SCHEMBL8636618

SCHEMBL8636618

O=Cc1ccc(P(=O)(O)COc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 5/20 0.45
CFTR P13569 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SRC P12931 2/20 0.41
RAB9A P51151 1/20 0.40
CYP2A6 P11509 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8636616 0.94 CYP2C9 (0.50) CYP2C9CYP2C19ALDH1A1CFTRKDM4E
SCHEMBL8758097 0.85 CYP2C9 (0.68) CYP2C9CYP2C19ALDH1A1CFTRSRC
SCHEMBL13858834 0.76 PTPN1 (0.59) CYP2C9CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8757980 0.76 CYP2C9 (0.51) CYP2C9CYP2C19SMN1; SMN2CYP2A6MAOB
SCHEMBL31173691 0.75 L3MBTL1 (0.68) ALDH1A1KDM4ESMN1; SMN2SRCCYP2A6
SCHEMBL8634990 0.75 CYP2C9 (0.50) CYP2C9CYP2C19ALDH1A1CFTRSMN1; SMN2
SCHEMBL8635599 0.74 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8727310 0.73 CYP2C9 (0.47) CYP2C9CYP2C19CYP2A6MAOA
SCHEMBL16350513 0.72 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2RAB9ACYP2A6
SCHEMBL8392921 0.72 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2RAB9ACYP2A6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717746-B1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-15 EP disclosed
EP-0717746-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-06-26 EP disclosed
WO-1995007284-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-03-16 WO disclosed