SCHEMBL4416141

SCHEMBL4416141

CCOC(=O)CC(C)c1cccc(C=CC2=C(C)CCCC2(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.41
RXRB P28702 4/20 0.41
RXRG P48443 4/20 0.41
CYP1A2 P05177 1/20 0.41
RARA P10276 7/20 0.40
RARB P10826 7/20 0.40
RARG P13631 7/20 0.40
HAO1 Q9UJM8 1/20 0.39
PLA2G2A P14555 1/20 0.38
PLA2G4A P47712 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
RBP4 P02753 1/20 0.36

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
SCHEMBL4416139 1.00 RXRA (0.41) RXRARXRBRXRGCYP1A2RARA
SCHEMBL15280975 0.89 RXRA (0.41) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4183366 0.89 CYP1A2 (0.46) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4183369 0.89 CYP1A2 (0.46) RXRARXRBRXRGCYP1A2RARA
SCHEMBL8803333 0.87 RXRA (0.39) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4172357 0.82 RXRA (0.40) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4172352 0.82 RXRA (0.40) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4172663 0.80 RXRA (0.38) RXRARXRBRXRGCYP1A2RARA
SCHEMBL4172664 0.80 RXRA (0.38) RXRARXRBRXRGCYP1A2RARA
SCHEMBL15461597 0.78 RXRA (0.40) RXRARXRBRXRGCYP1A2RARA

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-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed