SCHEMBL9618261

SCHEMBL9618261

CCC(C)OCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.63
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
RARA P10276 1/20 0.60
MAPT P10636 1/20 0.60
MTOR P42345 1/20 0.60
KMT2A Q03164 1/20 0.60
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9254278 0.96 RARB (0.55) RARBALDH1A1MEN1RARAMAPT
SCHEMBL14018524 0.88 ALDH1A1 (0.50) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9252643 0.84 RARB (0.56) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9618257 0.84 ESR1 (0.46) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9257180 0.81 RARB (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9257178 0.81 RARB (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8716755 0.79 RARB (0.54) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8370529 0.79 RARB (0.67) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9256938 0.79 ESR1 (0.50) ALDH1A1
SCHEMBL1749434 0.79 ALDH1A1 (0.53) RARBALDH1A1MAPTKMT2ARXRA

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
JP-4091054-A None JP disclosed
JP-H0491054-A OPTICALLY ACTIVE BIPHENYLCARBOXYLIC ACID DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1992-03-24 JP disclosed