SCHEMBL9122178

SCHEMBL9122178

C/C(=C/c1ncc(C(=O)O)[nH]1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 20/20 1.00
▸ RXRB P28702 12/20 1.00
▸ RXRG P48443 11/20 1.00
▸ RARB P10826 12/20 0.61
▸ RARG P13631 11/20 0.61
▸ RARA P10276 6/20 0.61
▸ MEN1 O00255 1/20 0.44
▸ CYP26A1 O43174 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 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
SCHEMBL7063769 1.00 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL7065563 1.00 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL7063771 0.84 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL9128391 0.75 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL9128385 0.75 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL9128395 0.75 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL8319378 0.74 RXRA (0.59) RXRARXRBRXRGRARBRARG
SCHEMBL9125926 0.74 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL9125930 0.74 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL9125937 0.74 RXRA (0.70) 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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