SCHEMBL7669063

SCHEMBL7669063

Cc1cc2c(cc1[Se]C#Cc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1[Se]C#Cc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.54
RXRB P28702 9/20 0.54
RXRG P48443 9/20 0.54
RARB P10826 7/20 0.54
RARG P13631 7/20 0.54
RARA P10276 6/20 0.54
PPARG P37231 2/20 0.54
CYP26A1 O43174 3/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.46
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL6880222 1.00 RXRA (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL6872171 0.87 RARA (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL6883867 0.84 RARA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL6878104 0.83 RXRA (0.51) RXRARXRBRXRGRARBRARG
SCHEMBL7670810 0.83 RXRA (0.51) RXRARXRBRXRGRARBRARG
SCHEMBL6878799 0.83 GRM5 (0.51) RXRARXRBRXRGRARBRARG
SCHEMBL2910172 0.83 RARB (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL6882358 0.83 RARA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL9318320 0.82 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL6882818 0.79 RXRA (0.48) 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-6441010-B2 USEFUL AS COSMETIC FOR HAIR AND BODY HYGIENE, AND FOR TREATMENT OF DERMATOLOGICAL COMPLAINTS, WITH AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT OF RHEUMATIC OR RESPIRATORY TYPE, CARDIVASCULAR AND OPTHALMOGICAL DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-08-27 US claimed