SCHEMBL9186754

SCHEMBL9186754

CC(=O)c1cc2c(cc1C)CCCC2(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.64
RXRB P28702 11/20 0.64
RXRG P48443 10/20 0.64
RARB P10826 6/20 0.42
RARG P13631 5/20 0.42
RARA P10276 3/20 0.42
CYP26A1 O43174 3/20 0.40
CYP26B1 Q9NR63 3/20 0.40
MEN1 O00255 1/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL18741055 0.90 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL18741265 0.84 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL6281772 0.81 RXRA (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL3298635 0.80 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL6244149 0.78 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL6275679 0.78 RXRA (0.47) RXRARXRBRXRGRARBRARG
SCHEMBL4417565 0.78 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL6908129 0.77 RXRA (0.59) RXRARXRBRXRGRARBRARG
SCHEMBL10842818 0.77 RARB (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL10844307 0.77 RARB (0.74) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5475017-A Skin disorders, antitumor agents; side effect reduction BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
US-5338749-A Treating rheumatic or arthritic disorders BASF AKTIENGESELLSCHAFT (DE) 1994-08-16 US disclosed
US-5326900-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5256694-A For skin disorders; carcinomas BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
EP-0382078-B1 AROMATIC KETO COMPOUNDS, THEIR PREPARATION AND MEDICINAL AS WELL AS COSMETIC PREPARATIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
US-5206242-A Skin disorders BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
US-5196532-A Treatment of skin disorders BASF AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed
US-5194664-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5126371-A Precancerous skin conditions, acne, psoriasis BASF AKTEINGESELLSCHAFT (DE) 1992-06-30 US disclosed
US-5061705-A Skin disorders BASF AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed
US-4994489-A Ester derivatives of diarylacetylenes, their compositions and their use in acne treatment BASF AKTIENGESELLSCHAFT 1991-02-19 US disclosed
EP-0382078-A1 Aromatic keto compounds, their preparation and medicinal as well as cosmetic preparations containing them BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed
EP-0176034-B1 DIARYL ACETYLENES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1989-08-30 EP disclosed
US-4806558-A Diarylacetylenes and their use in treating acne BASF AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0176034-A2 Diaryl acetylenes, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed