SCHEMBL11223866

SCHEMBL11223866

O=C(O)c1cccc(C(S)CO)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.60
ENPEP Q07075 2/20 0.60
FOLH1 Q04609 3/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
TP53 P04637 1/20 0.43
KMO O15229 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM4 Q14833 1/20 0.43
ALDH1A1 P00352 1/20 0.42
UNG P13051 1/20 0.42
MEP1B Q16820 2/20 0.41
CASR P41180 1/20 0.41

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
SCHEMBL996787 0.86 ANPEP (0.70) ANPEPENPEPFOLH1CA12CA1
SCHEMBL15524686 0.81 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL16951260 0.80 ANPEP (0.57) ANPEPENPEPFOLH1CA12CA1
SCHEMBL26547500 0.79 ANPEP (0.75) ANPEPENPEPFOLH1CA12CA1
SCHEMBL1320105 0.79 ANPEP (0.56) ANPEPENPEPFOLH1CA12CA1
SCHEMBL21064044 0.78 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL2957369 0.77 ANPEP (0.61) ANPEPENPEPFOLH1CA12CA1
SCHEMBL4406179 0.75 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL11604512 0.75 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL4406176 0.75 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1

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-4322214-A USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING ASAHI CHEMICAL COMPANY LIMITED (JP) 1982-03-30 US disclosed