SCHEMBL5706331

SCHEMBL5706331

CCOC(=O)C1(C)CC=Cc2cc(C)c(C#Cc3ccc(CC(=O)O)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CYP26A1 O43174 4/20 0.34
CYP26B1 Q9NR63 2/20 0.34
CHRM2 P08172 1/20 0.34
S1PR1 P21453 1/20 0.34
FPR1 P21462 1/20 0.34
FPR3 P25089 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GPR65 Q8IYL9 1/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
FDFT1 P37268 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL5706373 0.87 FFAR1 (0.40) FFAR1RXRACYP26A1CYP26B1FFAR4
SCHEMBL4520154 0.76 RARA (0.42) FFAR1RXRARXRBRXRGCYP26A1
SCHEMBL4515574 0.73 RXRA (0.41) FFAR1RXRARXRBRXRGCYP26A1
SCHEMBL9180549 0.70 CYP26A1 (0.43) FFAR1RXRARXRBRXRGCYP26A1
SCHEMBL9817713 0.67 RARA (0.49) FFAR1RXRARXRBRXRGCYP26A1
SCHEMBL9817887 0.67 RXRA (0.41) FFAR1RXRARXRBRXRGCYP26A1
SCHEMBL7660646 0.67 FFAR1 (0.40) FFAR1RXRARXRBRXRGCYP26A1
SCHEMBL4508439 0.67 RARA (0.41) RARARARBRARGFDFT1
SCHEMBL7637513 0.65 RARA (0.46) CYP26A1RARARARBRARG
SCHEMBL4510053 0.65 FFAR1 (0.40) FFAR1RXRARXRBRXRGCYP26A1

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
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed