SCHEMBL4084038

SCHEMBL4084038

CCC(=O)OCCNC(=O)CCC(=O)NC1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 2/20 0.36
GAA P10253 1/20 0.35
ATF4 P18848 1/20 0.35

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
SCHEMBL206154 0.85 TSHR (0.46) LMNAKMT2AATMHPGDPOLB
SCHEMBL208300 0.82 LMNA (0.50) LMNAKMT2APOLBTSHREPHX1
SCHEMBL206987 0.82 POLB (0.56) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL206704 0.80 SMYD3 (0.39) MAPTKMT2AHPGDPOLBL3MBTL1
SCHEMBL206071 0.80 CNR1 (0.52) LMNAKMT2AHPGDPOLBEPHX1
SCHEMBL2989386 0.79 LMNA (0.45) MAPTLMNAHPGDPOLBEPHX1
SCHEMBL207560 0.79 POLB (0.41) MAPTLMNAKMT2AHPGDPOLB
SCHEMBL206304 0.78 CNR1 (0.44) LMNAKMT2AL3MBTL1EPHX1
SCHEMBL2986952 0.78 MEN1 (0.47) LMNAKMT2AATF4
SCHEMBL206988 0.78 ALDH1A1 (0.51) MAPTLMNAKMT2AHPGDTSHR

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-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed