SCHEMBL9251862

SCHEMBL9251862

CNc1ccc(C(=O)O)cc1NC(C(N)=O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 4/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ TPMT P51580 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ PTGER4 P35408 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ GFER P55789 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL9251961 0.80 HCAR3 (0.50) HCAR3CA2PTGER4ALDH1A1MAPT
Acetic Acid SCHEMBL9251656 0.79 PTGER4 (0.42) HCAR3MEN1KMT2APTGER4ALDH1A1
Hydrochloric Acid SCHEMBL9252440 0.79 MAPT (0.46) HCAR3MEN1KMT2ACA2PTGER4
Hydrochloric Acid SCHEMBL9255160 0.78 MAPT (0.34) MEN1KMT2ACA12CA1CA2
SCHEMBL9252729 0.77 MAPT (0.60) CA12CA1CA2CA4CA6
SCHEMBL9255341 0.76 KDM4E (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2890452 0.75 HCAR3 (0.61) HCAR3MEN1KMT2ACA12CA1
SCHEMBL23287087 0.74 PTGER4 (0.43) HCAR3MEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL9256207 0.73 KDM4E (0.38) HCAR3PTGER4ALDH1A1MAPTKDM4E
SCHEMBL9246140 0.73 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPT

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 — — US disclosed
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