SCHEMBL7224925

SCHEMBL7224925

Cc1cc2c(cc1C(=O)c1cc3c(cc1C)OC(C)(C)CC3(C)C)C(C)(C)CC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.42
RXRB P28702 6/20 0.42
RXRG P48443 6/20 0.42
RARA P10276 4/20 0.42
RARB P10826 4/20 0.42
RARG P13631 4/20 0.42
AKR1B1 P15121 3/20 0.39
FTO Q9C0B1 1/20 0.35
CYP26A1 O43174 2/20 0.35
CYP26B1 Q9NR63 2/20 0.35
MEN1 O00255 1/20 0.35
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL8462110 0.89 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL7225062 0.89 AKR1B1 (0.38) RXRARXRBRXRGRARARARB
SCHEMBL15867091 0.81 FTO (0.38) AKR1B1FTOCYP26A1CYP26B1
SCHEMBL9850181 0.77 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL7217796 0.76 RARB (0.66) RXRARXRBRXRGRARARARB
SCHEMBL9850236 0.76 RARB (0.45) RARARARBRARGCYP26A1MEN1
SCHEMBL7217799 0.76 RARB (0.66) RXRARXRBRXRGRARARARB
SCHEMBL9078166 0.76 RARB (0.66) RXRARXRBRXRGRARARARB
SCHEMBL9053830 0.76 AKR1B1 (0.35) AKR1B1FTOCYP26A1CYP26B1
SCHEMBL7224928 0.75 CYP26A1 (0.35) RARARARBRARGAKR1B1FTO

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 2 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-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed