SCHEMBL8917404

SCHEMBL8917404

CS(=O)(=O)C(C(=O)c1cccc(C(=O)O)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
KMO O15229 1/20 0.42
SRC P12931 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KAT6A Q92794 1/20 0.41
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA6 P23280 1/20 0.41
TTR P02766 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL8917022 0.85 POLB (0.50) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL9562975 0.79 ALDH1A1 (0.49) ALDH1A1GAATDP1KAT6ACYP3A4
SCHEMBL8431154 0.76 SMN1; SMN2 (0.49) ALDH1A1SRCTDP1KDM4EMEN1
SCHEMBL9997429 0.76 SRC (0.43) ALDH1A1GAASRCTDP1KDM4E
SCHEMBL6069362 0.76 ALDH1A1 (0.49) ALDH1A1GAACYP3A4PTGS2SMN1; SMN2
SCHEMBL11605854 0.75 CES2 (0.71) ANPEPENPEPALDH1A1KMOTDP1
SCHEMBL11387985 0.75 TDP1 (0.52) ANPEPENPEPALDH1A1KMOSRC
SCHEMBL6204480 0.74 SRC (0.67) ALDH1A1SRCKMT2APTGS2SMN1; SMN2
SCHEMBL11387982 0.73 ANPEP (0.54) ANPEPENPEPALDH1A1KMOTDP1
SCHEMBL317796 0.72 CA12 (0.52) ANPEPENPEPALDH1A1GAAKMO

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-5670544-A ANTIISCHEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed