SCHEMBL27515326

SCHEMBL27515326

CCCCCCCCCc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 11/20 0.68
▸ MAPT P10636 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ RARA P10276 1/20 0.68
▸ MTOR P42345 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ THRB P10828 2/20 0.58
▸ THRA P10827 1/20 0.58
▸ TP53 P04637 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PLA2G4B P0C869 1/20 0.56

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
SCHEMBL9127851 1.00 RARB (0.68) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL11672547 1.00 RARB (0.68) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL9127669 1.00 RARB (0.68) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL11121068 1.00 RARB (0.68) RARBMAPTMEN1ALDH1A1RARA
Hydrochloric Acid SCHEMBL9128033 0.99 RARB (0.67) RARBMAPTMEN1ALDH1A1RARA
Hydrochloric Acid SCHEMBL9128139 0.99 RARB (0.67) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL6704732 0.99 RARB (0.68) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL10615534 0.96 RARB (0.76) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL9649984 0.94 RARB (0.67) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL29004333 0.94 RARB (0.67) RARBMAPTMEN1ALDH1A1RARA

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
CN-1184103-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-10 — — CN disclosed
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