SCHEMBL20153030

SCHEMBL20153030

O=C(CCc1cc(O)ccc1I)CCc1cc(O)ccc1I

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
TYR P14679 1/20 0.38
IAPP P10997 1/20 0.38
PCNA P12004 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 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
SCHEMBL14770069 0.77 CHRNA7 (0.38) CHRNA7TYRIAPP
SCHEMBL20152943 0.77 HSD17B10 (0.45)
SCHEMBL20152999 0.77 CHRNA7 (0.49) CHRNA7TYR
SCHEMBL20152915 0.77 NPSR1 (0.47) IAPP
SCHEMBL8100867 0.76 TYR (0.68) TYR
SCHEMBL26586619 0.76 TYR (0.40) TYREGFRLCK
SCHEMBL4652298 0.75 HSD17B3 (0.42) TYR
SCHEMBL28088495 0.74 TAAR1 (0.54) IAPP
SCHEMBL27802926 0.73 NPSR1 (0.47) TYR
SCHEMBL3652088 0.73 POLB (0.51) CHRNA7TYRPCNA

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-2018086197-A1 CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE 南方科技大学 2018-05-17 WO disclosed