SCHEMBL9269625

SCHEMBL9269625

CC1(C)CC(C)(C)c2ccc(Oc3ccc(C(=O)O)cc3)cc2S1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 13/20 0.65
▸ RXRB P28702 8/20 0.65
▸ RXRG P48443 7/20 0.65
▸ RARB P10826 12/20 0.47
▸ RARG P13631 12/20 0.47
▸ CYP26A1 O43174 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP26B1 Q9NR63 2/20 0.46
▸ RARA P10276 9/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NFKB1 P19838 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
SCHEMBL9270750 0.90 RXRA (0.65) RXRARXRBRXRGRARBRARG
SCHEMBL9187338 0.85 RARB (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL9271780 0.83 RXRA (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL9006875 0.80 RARB (0.64) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL9265000 0.80 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL7720657 0.79 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL9184440 0.78 RARB (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL9187034 0.77 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL27258703 0.77 TP53 (0.53) RARBCYP26A1CYP3A4CYP26B1TP53
SCHEMBL7698960 0.76 RARB (0.57) RXRARXRBRXRGRARBRARG

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-0405028-B1 Thiochroman esters of phenols and terephthalates having retinoid-like activity ALLERGAN INC (US) 1995-10-11 — — EP claimed
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