SCHEMBL8264172

SCHEMBL8264172

Cc1cccc(C#Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.61
RARB P10826 8/20 0.54
RARG P13631 8/20 0.54
RARA P10276 5/20 0.54
FFAR4 Q5NUL3 1/20 0.52
HNF4A P41235 1/20 0.51
CYP26A1 O43174 1/20 0.51
CYP3A4 P08684 1/20 0.51
CRABP2 P29373 1/20 0.51
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
VCP P55072 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
PTPN11 Q06124 1/20 0.46

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
SCHEMBL2747196 0.84 RARB (0.53) RARBRARGRARAHNF4ACYP26A1
SCHEMBL18125275 0.83 VCP (0.51) FFAR1RARBRARGRARAHNF4A
Hydrochloric Acid SCHEMBL6923419 0.82 RARB (0.51) RARBRARGRARAHNF4ACYP26A1
SCHEMBL8264835 0.82 FFAR1 (0.57) FFAR1FFAR4GRM5ALDH1A1CA12
SCHEMBL8154161 0.81 ACACB (0.56) FFAR1RARBRARGRARAHNF4A
SCHEMBL20022591 0.81 ALDH1A1 (0.74) FFAR1RARBRARGRARACYP26A1
Terephthalic Acid SCHEMBL8103061 0.81 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2
SCHEMBL402518 0.81 RARB (0.62) FFAR1RARBRARGRARAFFAR4
SCHEMBL4946180 0.81 GRM5 (0.62) FFAR1FFAR4HNF4ACYP3A4GRM5
SCHEMBL10809316 0.81 FFAR1 (0.60) FFAR1RARBRARGRARAHNF4A

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-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed