SCHEMBL9190873

SCHEMBL9190873

CCS(=O)(=O)c1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.50
RARB P10826 11/20 0.45
RARG P13631 10/20 0.45
RXRA P19793 4/20 0.45
GSK3B P49841 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
CYP26B1 Q9NR63 3/20 0.40
CYP26A1 O43174 3/20 0.38

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
SCHEMBL9184087 0.79 RARB (0.61) RARARARBRARGRXRACYP26B1
SCHEMBL9187990 0.79 RARB (0.41) RARARARBRARGRXRAABCB1
SCHEMBL9190381 0.77 RARA (0.53) RARARARBRARGRXRAABCB1
SCHEMBL7647113 0.76 ABCB1 (0.69) RARARARBRARGRXRAABCB1
SCHEMBL9521094 0.74 RARB (0.58) RARARARBRARGRXRACYP26B1
SCHEMBL9186798 0.73 CYP3A4 (0.56) RARARARBRARGRXRAABCB1
SCHEMBL9190385 0.69 RARA (0.50) RARARARBRARGRXRAABCB1
Etarotene SCHEMBL636235 0.68 RARG (0.67) RARARARBRARGRXRACYP26A1
Etarotene SCHEMBL7061143 0.68 RARG (0.67) RARARARBRARGRXRACYP26A1
Etarotene SCHEMBL10494236 0.68 RARG (0.67) RARARARBRARGRXRACYP26A1

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 5 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-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