SCHEMBL4624323

SCHEMBL4624323

CC(=CCCC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
AKR1C3 P42330 1/20 0.44
CNR1 P21554 5/20 0.41
CNR2 P34972 3/20 0.41
EPHX2 P34913 1/20 0.41
CASR P41180 1/20 0.41
HRH1 P35367 3/20 0.40
HTR2A P28223 2/20 0.40
CYP2C9 P11712 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
APEX1 P27695 2/20 0.38

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
SCHEMBL4624316 1.00 MTNR1A (0.50) MTNR1AMTNR1BAKR1C3CNR1CNR2
SCHEMBL11902132 0.86 RIPK1 (0.46) MTNR1AMTNR1BAKR1C3CYP2C9
SCHEMBL491755 0.81 AKR1C3 (0.47) MTNR1AMTNR1BAKR1C3CYP2C9CES2
SCHEMBL9574176 0.77 MTNR1A (0.41) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL15240402 0.76 AKR1C3 (0.46) MTNR1AMTNR1BAKR1C3CYP2C9
SCHEMBL234526 0.76 MTNR1A (0.41) MTNR1AMTNR1BAKR1C3CYP2C9APEX1
SCHEMBL29091274 0.76 MTNR1A (0.44) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL28348801 0.75 MTNR1A (0.46) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL8855503 0.74 AKR1C3 (0.45) AKR1C3CNR2CYP2C9
SCHEMBL197322 0.74 GRIK1 (0.53) AKR1C3CYP2C9

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-1444239-B1 HIGH REFRACTIVE INDEX AROMATIC-BASED SILYL MONOMERS BAUSCH & LOMB (US) 2008-12-24 EP claimed
EP-1448571-B1 HIGH REFRACTIVE INDEX AROMATIC-BASED SILOXANE MONOFUNCTIONAL MACROMONOMERS BAUSCH & LOMB (US) 2008-05-21 EP claimed