SCHEMBL8776432

SCHEMBL8776432

CC1C(C)(C)c2ccc(C#Cc3ccc(C(=O)O)cc3)cc2C1(C)C

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 19/20 0.63
RARG P13631 19/20 0.63
RARA P10276 16/20 0.63
CYP26A1 O43174 1/20 0.63
CYP3A4 P08684 1/20 0.63
CRABP2 P29373 1/20 0.63
RXRA P19793 1/20 0.53

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
SCHEMBL9484739 0.83 RXRA (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9484205 0.82 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8522801 0.80 RXRA (0.60) RARBRARGRARACYP26A1RXRA
SCHEMBL9483506 0.80 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL10899338 0.78 RARB (0.37) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9484539 0.78 RARB (0.38) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29353973 0.78 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8776480 0.78 RARB (0.83) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9483415 0.78 RARB (0.38) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3302926 0.78 RARB (1.00) RARBRARGRARACYP26A1CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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