SCHEMBL9252717

SCHEMBL9252717

COC(=O)CCNC(=O)c1ccc(NCCc2ccc(OC)c(OC)c2)c(N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
POLB P06746 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TSHR P16473 1/20 0.52
MAPT P10636 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
Hydrochloric Acid SCHEMBL9252446 0.80 MAPT (0.67) GAAMAPTLMNAKDM4EALDH1A1
SCHEMBL9246309 0.78 KDM4E (0.58) GAAPOLBNPC1RAB9AMAPT
SCHEMBL9251955 0.78 MAPT (0.66) GAACA2MAPTMEN1KMT2A
SCHEMBL9251859 0.78 PRKCI (0.54) GAANPC1RAB9AMAPTLMNA
Acetic Acid SCHEMBL9251660 0.76 MAPT (0.57) GAAMAPTKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL9246062 0.76 MAPT (0.75) GAACA1CA2CA7CA9
SCHEMBL30597452 0.73 GAA (0.79) GAACA1CA2CA7CA9
SCHEMBL4488518 0.73 GAA (0.79) GAACA1CA2CA7CA9
SCHEMBL28689186 0.73 GAA (0.79) GAACA1CA2CA7CA9
SCHEMBL9255324 0.73 ALDH1A1 (0.53) GAAPOLBTSHRMAPTLMNA

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