SCHEMBL8028282

SCHEMBL8028282

C=CC(=O)OC(CC)Sc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
JAK1 P23458 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 4/20 0.38
PPARG P37231 2/20 0.37

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
SCHEMBL4642108 0.82 EPHX1 (0.52) EPHX1MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL5270062 0.76 MEN1 (0.43) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL8044901 0.76 PPARG (0.48) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL23722516 0.76 ANPEP (0.44) EPHX1MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL16709775 0.73 HCAR2 (0.43) EPHX1MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL12112888 0.71 CAPN1 (0.43) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL1218505 0.71 MAPT (0.45) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL5267799 0.71 UGT2B7 (0.49) MAPTCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL16709784 0.70 EPHX1 (0.39) EPHX1MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL16709702 0.70 EPHX1 (0.39) EPHX1MAPTCYP3A4ALDH1A1KDM4E

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