SCHEMBL7368097

SCHEMBL7368097

Cc1ccc(C(=O)P(=O)(O)O)c(Cl)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CLCN2 P51788 2/20 0.32
FLT1 P17948 2/20 0.31
FLT4 P35916 2/20 0.31
KDR P35968 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOA P21397 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PTGS2 P35354 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
AKR1B10 O60218 1/20 0.30
ABCB11 O95342 1/20 0.30

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
SCHEMBL28840996 0.82 PGK1 (0.32) NPC1RAB9ACHRM1CYP3A4LMNA
SCHEMBL28873539 0.78 ALOX15 (0.34) NPC1RAB9ACLCN2CHRM1TBXA2R
SCHEMBL16019011 0.78 SMN1; SMN2 (0.35) NPC1RAB9ACLCN2CHRM1TBXA2R
SCHEMBL7924637 0.78 TSHR (0.47) CLCN2CHRM1TBXA2RCYP3A4ALDH1A1
SCHEMBL17612257 0.76 ALDH1A1 (0.40) CLCN2CHRM1TBXA2RCYP3A4ALOX15
SCHEMBL28881890 0.76 CLCN2 (0.33) NPC1RAB9ACLCN2CHRM1TBXA2R
SCHEMBL10407716 0.76 CLCN2 (0.44) RAB9ACLCN2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL29051212 0.73 CHRM1 (0.35) NPC1RAB9ACLCN2FLT1FLT4
SCHEMBL15698329 0.72 GSK3B (0.41) RAB9AALDH1A1LMNAPTGS2SMN1; SMN2
SCHEMBL22996048 0.69 CLCN2 (0.36) CLCN2CHRM1TBXA2RCYP3A4ALOX15

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
EP-1223945-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-07-24 EP disclosed
WO-2001026661-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-04-19 WO disclosed