SCHEMBL9128391

SCHEMBL9128391

C/C(=C/c1ncc(C(=O)O)s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 20/20 1.00
▸ RXRB P28702 13/20 1.00
▸ RXRG P48443 13/20 1.00
▸ RARB P10826 12/20 1.00
▸ RARG P13631 11/20 1.00
▸ RARA P10276 7/20 0.72
▸ PPARG P37231 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
SCHEMBL9128395 1.00 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL9128385 1.00 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL3688709 0.79 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL3688710 0.79 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL3688713 0.79 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL7065568 0.77 RXRA (0.63) RXRARXRBRXRGRARBRARG
SCHEMBL7062647 0.77 RXRA (0.63) RXRARXRBRXRGRARBRARG
SCHEMBL9124050 0.76 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL9124040 0.76 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL9124034 0.76 RXRA (0.61) 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
US-5475113-A Treatment of skin disorders, skin cancer ALLERGAN, INC. (US) 1995-12-12 — — US disclosed
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