SCHEMBL8457129

SCHEMBL8457129

COC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
RARB P10826 11/20 0.56
RARA P10276 10/20 0.56
ABCB1 P08183 1/20 0.53
ABCC1 P33527 1/20 0.53
CYP26A1 O43174 2/20 0.53
RARG P13631 11/20 0.50
RXRA P19793 6/20 0.49
RXRB P28702 3/20 0.46
RXRG P48443 3/20 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
SCHEMBL8459938 0.84 GABRG2 (0.54) CYP3A4RARBRARAABCB1ABCC1
SCHEMBL9184735 0.82 RARB (0.55) CYP3A4RARBRARAABCB1ABCC1
SCHEMBL2788640 0.81 CYP3A4 (0.70) CYP3A4RARBRARACYP26A1RARG
SCHEMBL8461756 0.81 RARB (0.53) CYP3A4RARBRARAABCB1ABCC1
SCHEMBL8462120 0.81 CYP3A4 (0.51) CYP3A4RARBRARAABCB1ABCC1
SCHEMBL9188355 0.81 CYP3A4 (0.56) CYP3A4RARBRARAABCB1ABCC1
SCHEMBL9183745 0.81 RARB (0.74) CYP3A4RARBRARAABCB1ABCC1
SCHEMBL9186798 0.81 CYP3A4 (0.56) CYP3A4RARBRARAABCB1ABCC1
SCHEMBL9185577 0.80 RARG (0.53) CYP3A4RARBRARAABCB1ABCC1
SCHEMBL18775432 0.80 RARB (0.73) CYP3A4RARBRARACYP26A1RARG

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 11 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-5475017-A Skin disorders, antitumor agents; side effect reduction BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0382077-B1 Diaryl-substituted heterocyclic compound, its preparation and medicaments and cosmetics made thereof BASF AG (DE) 1995-05-17 EP disclosed
US-5338749-A Treating rheumatic or arthritic disorders BASF AKTIENGESELLSCHAFT (DE) 1994-08-16 US 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-5061705-A Skin disorders BASF AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed
EP-0382077-A2 Diaryl-substituted heterocyclic compound, its preparation and medicaments and cosmetics made thereof BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed