SCHEMBL7224928

SCHEMBL7224928

Cc1cc2c(cc1C=O)C(C)(C)CC(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1B1 P15121 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
FTO Q9C0B1 1/20 0.33
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL9054609 0.94 CYP26A1 (0.35) CYP26A1CYP26B1ALDH1A1SMN1; SMN2AKR1B1
SCHEMBL15867091 0.81 FTO (0.38) CYP26A1CYP26B1AKR1B1FTO
SCHEMBL12171006 0.80 FTO (0.36) ALDH1A1SMN1; SMN2FTO
SCHEMBL9053830 0.76 AKR1B1 (0.35) CYP26A1CYP26B1ALDH1A1AKR1B1FTO
SCHEMBL9055810 0.75 RARA (0.40) CYP26A1CYP26B1ALDH1A1SMN1; SMN2GRIA1
SCHEMBL7224925 0.75 RXRA (0.42) CYP26A1CYP26B1AKR1B1FTORARA
SCHEMBL7225062 0.74 AKR1B1 (0.38) CYP26A1CYP26B1ALDH1A1AKR1B1FTO
SCHEMBL8462110 0.74 RXRA (0.41) CYP26A1CYP26B1AKR1B1FTORARA
SCHEMBL9054394 0.73 ALDH1A1 (0.42) CYP26A1CYP26B1ALDH1A1AKR1B1FTO
SCHEMBL9053844 0.73 ALDH1A1 (0.42) CYP26A1CYP26B1ALDH1A1AKR1B1RARA

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 4 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-5498755-A IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS ALLERGAN, INC. 1996-03-12 US disclosed
WO-1996006070-A1 DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-02-29 WO disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed