SCHEMBL9502047

SCHEMBL9502047

CCCCCCCc1ccc(-c2ccc(C(=O)OC(CC)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RARA P10276 1/20 0.53
MAPT P10636 1/20 0.53
MTOR P42345 1/20 0.53
THRA P10827 7/20 0.44
THRB P10828 7/20 0.44
UTS2R Q9UKP6 1/20 0.44

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
SCHEMBL9500362 0.95 RARB (0.58) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9502017 0.95 RARB (0.58) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9498977 0.95 RARB (0.58) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9500047 0.95 RARB (0.58) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9498765 0.94 RARB (0.57) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9500452 0.94 RARB (0.57) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9500809 0.93 RARB (0.56) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9502101 0.93 RARB (0.56) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9499152 0.93 RARB (0.56) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9498357 0.92 RARB (0.55) RARBMEN1KMT2AALDH1A1RARA

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-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed