SCHEMBL11508353

SCHEMBL11508353

S=C=NC1CCCCC1N=C=S

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.50
EPHX1 P07099 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL21406329 0.82 APLNR (0.43) APLNR
SCHEMBL3056195 0.82 APLNR (0.40) APLNR
SCHEMBL11582392 0.82 APLNR (0.40) APLNR
SCHEMBL4928323 0.82 APLNR (0.40) APLNR
SCHEMBL13310980 0.80 APLNR (0.42) APLNREPHX1HIF1AALDH1A1
SCHEMBL11584123 0.80 APLNR (0.39) APLNREPHX1HIF1AALDH1A1
SCHEMBL11582155 0.80 APLNR (0.39) APLNREPHX1HIF1AALDH1A1
SCHEMBL13311922 0.80 APLNR (0.42) APLNREPHX1HIF1AALDH1A1
SCHEMBL11733823 0.78 APLNR (0.37) APLNR
SCHEMBL13227828 0.78 APLNR (0.41) APLNREPHX1HIF1A

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
US-4144027-A SHRINKPROOFING KERATIN-CONTAINING FABRICS BY REACTION WITH A POLYETHER POLYOL AND A DIISOCYANATE MILLIKEN RESEARCH CORPORATION (US) 1979-03-13 US disclosed
US-3993632-A PROPELLANT BINDER SHELL OIL COMPANY (US) 1976-11-23 US disclosed