SCHEMBL11334965

SCHEMBL11334965

O=Cc1c(O)cccc1CCS

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.43
ERN1 O75460 4/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
IAPP P10997 2/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
HSPA5 P11021 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
AKR1B1 P15121 1/20 0.35
MPO P05164 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
SCHEMBL14354428 0.85 ERN1 (0.39) ERN1TRIM24TRIM33IAPPCYP2D6
SCHEMBL1527068 0.83 IAPP (0.44) IAPP
SCHEMBL5429057 0.82 HSPA5 (0.50) ERN1TRIM24TRIM33CYP2D6TSHR
SCHEMBL29216341 0.80 IAPP (0.45) IAPPAKR1B1
SCHEMBL1527069 0.80 BID (0.50) IAPPTSHR
SCHEMBL4709719 0.80 ERN1 (0.46) ERN1TRIM24TRIM33CYP2D6TSHR
SCHEMBL29951885 0.80 GABRA1 (0.52) ERN1TRIM24TRIM33IAPPCYP2D6
SCHEMBL1527075 0.80 GABRA1 (0.52) ERN1TRIM24TRIM33IAPPCYP2D6
SCHEMBL1527143 0.79 BID (0.56) IAPP
SCHEMBL11166820 0.79 GABRA1 (0.39) ERN1TRIM24TRIM33IAPP

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
US-4304940-A CATALYST SELECTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1981-12-08 US disclosed