SCHEMBL8028287

SCHEMBL8028287

C=C(C)C(=O)OC(CCCC)c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
SLC37A4 O43826 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.33
CNR2 P34972 1/20 0.33
CTSK P43235 3/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32

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
SCHEMBL8028268 0.96 SLC37A4 (0.40) ALDH1A1HSD17B10KDM4EPOLBSLC37A4
SCHEMBL1130647 0.81 POLB (0.43) ALDH1A1POLBTSHRCA2CYP3A4
SCHEMBL16181833 0.81 TSHR (0.40) ALDH1A1KDM4ESLC37A4TSHRCASP1
SCHEMBL8038185 0.78 THRB (0.42) ALDH1A1HSD17B10KDM4EPOLBSLC37A4
Bromide SCHEMBL16166941 0.77 SLC37A4 (0.36) ALDH1A1KDM4ESLC37A4TSHRCYSLTR2
SCHEMBL8041633 0.77 TSHR (0.39) KDM4EPOLBTSHRCYP3A4
SCHEMBL27909025 0.77 ALDH1A1 (0.43) ALDH1A1POLBSLC37A4TSHRCNR2
SCHEMBL25863958 0.76 TSHR (0.39) ALDH1A1POLBSLC37A4TSHRCYP2C9
SCHEMBL6446367 0.76 ALDH1A1 (0.45) ALDH1A1POLBSLC37A4TSHRCNR2
SCHEMBL1562513 0.76 ALDH1A1 (0.45) ALDH1A1POLBSLC37A4TSHRCNR2

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 1 patent. 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