SCHEMBL4080673

SCHEMBL4080673

CCC(=O)OC(C)(C)CNC(=O)CCC(=O)NC1CCC(Cc2ccc(C)cc2)(N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
AQP3 Q92482 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
KCNA3 P22001 1/20 0.33
MAPT P10636 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL206704 0.81 SMYD3 (0.39) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4080671 0.81 OPRM1 (0.37) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL206456 0.80 POLB (0.45) HPGDRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4869393 0.79 EPHX1 (0.42) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL206832 0.79 EPHX2 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2983415 0.79 MEN1 (0.45) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4075032 0.79 HPGD (0.40) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2976452 0.78 MEN1 (0.46) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4072191 0.77 HPGD (0.38) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5162372 0.77 RAB9A (0.43) HPGDRAB9ASMN1; SMN2MEN1KMT2A

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