SCHEMBL8038236

SCHEMBL8038236

C=CC(=O)OC(CCC)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
METAP2 P50579 2/20 0.35
METAP1 P53582 2/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL8028264 0.92 KDM4E (0.42) AOC3KMT2AKDM4EL3MBTL1CDC25A
SCHEMBL2326069 0.84 AOC3 (0.39) AOC3KMT2AKDM4ECYP2C9HPGD
SCHEMBL2326062 0.84 AOC3 (0.39) AOC3KMT2AKDM4ECYP2C9HPGD
SCHEMBL7174976 0.83 THRB (0.38) HPGD
SCHEMBL21693856 0.82 THRB (0.37) HPGD
SCHEMBL11566786 0.82 AOC3 (0.46) AOC3KMT2AKDM4EL3MBTL1CYP2C9
SCHEMBL25385326 0.81 CASP1 (0.43) AOC3KDM4EHTT
SCHEMBL15173410 0.81 THRB (0.36) HPGD
SCHEMBL5450041 0.81 AOC3 (0.36) AOC3KDM4ECYP2C9HPGDCYP2C19
SCHEMBL3173706 0.79 LMNA (0.40) KMT2ACYP2C9CYP2C19MEN1

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed