SCHEMBL9190381

SCHEMBL9190381

CC1(C)CCC(C)(C)c2cc(-c3ccc(-c4ccc(CO)cc4)o3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.53
RARB P10826 10/20 0.48
RARG P13631 9/20 0.48
RXRA P19793 5/20 0.48
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
MTOR P42345 1/20 0.41
CYP26A1 O43174 2/20 0.40
CYP26B1 Q9NR63 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
SCHEMBL9190385 0.80 RARA (0.50) RARARARBRARGRXRAABCB1
SCHEMBL7647113 0.79 ABCB1 (0.69) RARARARBRARGRXRAABCB1
SCHEMBL7877006 0.78 RARB (0.64) RARARARBRARGRXRARXRB
SCHEMBL2095481 0.78 RXRA (0.57) RARARARBRARGRXRARXRB
SCHEMBL9190873 0.77 RARA (0.50) RARARARBRARGRXRAABCB1
SCHEMBL10834477 0.77 RARB (0.59) RARARARBRARGRXRARXRB
SCHEMBL9186798 0.76 CYP3A4 (0.56) RARARARBRARGRXRAABCB1
SCHEMBL5845401 0.73 RARB (0.57) RARARARBRARGRXRARXRB
SCHEMBL9132923 0.73 PDE10A (0.43) RARARARBRARGRXRA
SCHEMBL9484092 0.72 RARB (0.62) RARARARBRARGRXRARXRB

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
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