SCHEMBL11277411

SCHEMBL11277411

CC(C(=O)O)c1cc(Cl)ccc1N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 6/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CHRM1 P11229 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 2/20 0.47
RECQL P46063 1/20 0.46
MC4R P32245 2/20 0.45
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AVPR1A P37288 1/20 0.42

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
SCHEMBL11281772 0.83 HTT (0.55) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL11281662 0.82 NOTUM (0.42) ALDH1A1MEN1KMT2ACHRM1PTGS1
SCHEMBL10679069 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL11275499 0.79 KCNQ2 (0.52) MEN1KMT2AGAAL3MBTL1NPSR1
SCHEMBL11282006 0.79 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL11219311 0.78 PTGS1 (0.74) ALDH1A1KDM4ECHRM1PTGS1MAPK1
SCHEMBL11279594 0.77 MAPT (0.48) ALDH1A1KDM4ELMNAMC4RGAA
SCHEMBL11288764 0.77 KCNQ2 (0.54) KMT2ACHRM1PTGS1GAAL3MBTL1
SCHEMBL27741258 0.77 POLB (0.54) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL10674431 0.76 MEN1 (0.41) ALDH1A1MEN1KMT2AKDM4ELMNA

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
EP-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 EP disclosed