SCHEMBL9190385

SCHEMBL9190385

CC1(C)CCC(C)(C)c2cc(-c3ccc(-c4ccccc4CO)o3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.50
RARB P10826 12/20 0.50
RARG P13631 11/20 0.50
RXRA P19793 4/20 0.50
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
PDK2 Q15119 1/20 0.39
GNRHR P30968 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL7565094 0.85 RARB (0.62) RARARARBRARGRXRAABCB1
SCHEMBL9190381 0.80 RARA (0.53) RARARARBRARGRXRAABCB1
SCHEMBL7877006 0.73 RARB (0.64) RARARARBRARGRXRAPDK2
SCHEMBL23558363 0.72 PBRM1 (0.40) PDK2
SCHEMBL7794229 0.72 RARB (0.75) RARARARBRARGRXRAABCB1
SCHEMBL8557384 0.72 RARB (0.55) RARARARBRARGRXRAPDK2
SCHEMBL7647113 0.71 ABCB1 (0.69) RARARARBRARGRXRAABCB1
SCHEMBL7565236 0.71 CD274 (0.51) RARARARBRARGRXRAPDK2
SCHEMBL23558190 0.71 HDAC6 (0.39) PDK2
SCHEMBL23558186 0.71 CYP11B2 (0.41) PDK2

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