SCHEMBL4414846

SCHEMBL4414846

CC1=C(/C=C/c2cccc(C(=O)C(C)(C)CNC(=O)O)c2)C(C)(C)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.44
RARB P10826 7/20 0.44
RARG P13631 7/20 0.44
HAO1 Q9UJM8 1/20 0.43
RXRA P19793 8/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G4A P47712 1/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.38
PTGS1 P23219 3/20 0.36
RORC P51449 2/20 0.36
CYP3A4 P08684 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
MAPK1 P28482 2/20 0.36
HTR2B P41595 2/20 0.36
BLM P54132 2/20 0.36
HIF1A Q16665 2/20 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
SCHEMBL4414848 1.00 RARA (0.44) RARARARBRARGHAO1RXRA
SCHEMBL4176028 0.90 RARA (0.39) RARARARBRARGHAO1RXRA
SCHEMBL4176033 0.90 RARA (0.39) RARARARBRARGHAO1RXRA
SCHEMBL4169008 0.87 RARA (0.43) RARARARBRARGHAO1RXRA
SCHEMBL4169004 0.87 RARA (0.43) RARARARBRARGHAO1RXRA
SCHEMBL8803134 0.82 RARA (0.47) RARARARBRARGHAO1RXRA
SCHEMBL4161094 0.82 RARB (0.59) RARARARBRARGHAO1RXRA
SCHEMBL4161093 0.82 RARB (0.59) RARARARBRARGHAO1RXRA
SCHEMBL4410963 0.81 HAO1 (0.42) RARARARBRARGHAO1RXRA
SCHEMBL4410959 0.81 HAO1 (0.42) RARARARBRARGHAO1RXRA

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