SCHEMBL16319176

SCHEMBL16319176

CCc1cc(F)ccc1Oc1ccc(C(=O)O)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
SLC22A12 Q96S37 2/20 0.52
XDH P47989 3/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
EZH2 Q15910 2/20 0.42
AR P10275 1/20 0.41
TSHR P16473 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL16319492 0.83 SLC22A12 (0.53) SLC22A12EZH2
SCHEMBL16319927 0.83 LMNA (0.60) LMNAMAPK1HTTRAB9ATSHR
SCHEMBL4151526 0.80 HPGD (0.51) ALDH1A1HPGDSLC22A12XDHAR
SCHEMBL16319183 0.79 LPAR1 (0.57) ALDH1A1
SCHEMBL28032622 0.78 CA12 (0.53) ALDH1A1LMNAMAPK1HTTRAB9A
SCHEMBL1419879 0.76 ALDH1A1 (0.62) ALDH1A1HPGDXDHLMNAMAPK1
SCHEMBL1402221 0.76 ALDH1A1 (0.74) ALDH1A1HPGDXDHLMNAHTT
SCHEMBL3586801 0.75 ALDH1A1 (0.56) ALDH1A1HPGDRAB9AMRGPRX4
SCHEMBL4828827 0.75 ALDH1A1 (0.56) ALDH1A1HPGDXDHRAB9AMRGPRX4
SCHEMBL177429 0.73 ALDH1A1 (0.84) ALDH1A1HPGDXDH

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-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed