SCHEMBL9526508

SCHEMBL9526508

CC1(C)CCC(C)(C)c2cc(C(=O)CSc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.65
RXRB P28702 11/20 0.65
RARB P10826 9/20 0.65
RXRG P48443 8/20 0.65
RARG P13631 8/20 0.65
CYP26A1 O43174 5/20 0.63
CYP3A4 P08684 3/20 0.63
CYP26B1 Q9NR63 3/20 0.63
RARA P10276 6/20 0.59
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
CRABP2 P29373 1/20 0.54

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
SCHEMBL9319350 0.82 CYP26A1 (0.71) RXRARXRBRARBRXRGRARG
SCHEMBL29827631 0.80 RARB (0.81) RXRARXRBRARBRXRGRARG
SCHEMBL846110 0.80 RARB (0.81) RXRARXRBRARBRXRGRARG
SCHEMBL9318594 0.80 RXRA (0.70) RXRARXRBRARBRXRGRARG
SCHEMBL8460878 0.80 RXRA (0.70) RXRARXRBRARBRXRGRARG
SCHEMBL7723487 0.79 RXRA (1.00) RXRARXRBRARBRXRGRARG
SCHEMBL8674121 0.79 RXRA (0.69) RXRARXRBRARBRXRGRARG
SCHEMBL9522831 0.79 CYP3A4 (0.60) RXRARXRBRARBRXRGRARG
Hydrochloric Acid SCHEMBL9120757 0.78 RARB (0.78) RXRARXRBRARBRXRGRARG
SCHEMBL15554765 0.78 RXRA (0.67) RXRARXRBRARBRXRGRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386451-B1 OXYGEN-BEARING DIPHENYL HETEROALKANES, PROCESS FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1993-04-28 EP disclosed
US-5128479-A Skin disorders, cosmetics BASF AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0386451-A1 Oxygen-bearing diphenyl heteroalkanes, process for their preparation and use BASF Aktiengesellschaft (DE) 1990-09-12 EP disclosed