SCHEMBL8458498

SCHEMBL8458498

Cc1cc2c(cc1C#Cc1ccc(C(=O)O)cc1)C(C)(C)CCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.63
RXRB P28702 4/20 0.63
RXRG P48443 4/20 0.63
RARB P10826 14/20 0.55
RARG P13631 12/20 0.55
RARA P10276 10/20 0.55
CYP26A1 O43174 2/20 0.55
CYP3A4 P08684 1/20 0.55
CRABP2 P29373 1/20 0.55
MEN1 O00255 1/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
PGR P06401 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL9483542 0.85 RARB (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL9483271 0.83 RXRA (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL6244149 0.77 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL22824265 0.76 RARB (0.56) RXRARXRBRARBRARGRARA
SCHEMBL9487042 0.76 RARB (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL9551744 0.75 RXRA (0.63) RXRARXRBRXRGRARBRARG
SCHEMBL6904473 0.75 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL6244147 0.74 RARB (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL9484739 0.74 RXRA (0.59) RXRARXRBRXRGRARBRARG
SCHEMBL9713981 0.74 RARB (0.69) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
US-5256694-A For skin disorders; carcinomas BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5126371-A Precancerous skin conditions, acne, psoriasis BASF AKTEINGESELLSCHAFT (DE) 1992-06-30 US disclosed
US-4994489-A Ester derivatives of diarylacetylenes, their compositions and their use in acne treatment BASF AKTIENGESELLSCHAFT 1991-02-19 US disclosed
US-4806558-A Diarylacetylenes and their use in treating acne BASF AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed