SCHEMBL5086265

SCHEMBL5086265

CC(CCc1ccccc1)C(CC(N)=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
ERAP1 Q9NZ08 4/20 0.44
ERAP2 Q6P179 3/20 0.44
IL1RN P18510 2/20 0.44
ANPEP P15144 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL661213 0.80 TSHR (0.51) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL4989663 0.78 TSHR (0.49) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL27542815 0.78 TSHR (0.49) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL4558954 0.77 KMT2A (0.47) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL17403338 0.76 TSHR (0.64) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL8761 0.76 TSHR (0.64) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL28570306 0.76 ACE (0.56) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL4984701 0.74 TSHR (0.49) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL16201815 0.73 ERAP1 (0.46) TSHRKMT2ASMN1; SMN2MEN1HTT
SCHEMBL5607432 0.73 CYP2C19 (0.46) SMN1; SMN2HTTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008508348-A 2008-03-21 JP claimed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP claimed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 WO claimed