SCHEMBL7218540

SCHEMBL7218540

CC(C)c1cc2c(cc1C=O)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.46
RXRB P28702 6/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
RXRG P48443 4/20 0.43
CYP26A1 O43174 3/20 0.39
CYP26B1 Q9NR63 2/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
RARA P10276 3/20 0.35
TYR P14679 1/20 0.33
KARS1 Q15046 1/20 0.31

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
SCHEMBL11122818 0.82 RARB (0.41) RXRARXRBRARBRARGRXRG
SCHEMBL22302453 0.76 TYR (0.43) HSP90AA1HSP90AB1TYR
SCHEMBL4666462 0.76 RARG (0.51) RXRARXRBRARBRARGRXRG
SCHEMBL8807547 0.74 RXRA (0.44) RXRARXRBRARBRARGRXRG
SCHEMBL4666464 0.74 PRKDC (0.44) RXRARXRBRARBRARGRXRG
SCHEMBL4666402 0.74 RARG (0.43) RXRARXRBRARBRARGRXRG
SCHEMBL7223563 0.74 RXRA (0.43) RXRARXRBRARBRARGRXRG
SCHEMBL29818615 0.74 TYR (0.42) HSP90AA1HSP90AB1TYR
SCHEMBL5947942 0.73 RXRA (0.44) RXRARXRBRARBRARGRXRG
SCHEMBL22838113 0.72 RXRA (0.47) RXRARXRBRARBRARGRXRG

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
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
US-5475113-A Treatment of skin disorders, skin cancer ALLERGAN, INC. (US) 1995-12-12 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed