SCHEMBL11045822

SCHEMBL11045822

C1CCC(NC2CCCCC2)CC1.CC(=O)SCCC(=O)N1c2ccc(C)cc2CCC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
OPRK1 P41145 1/20 0.37
MAPK1 P28482 1/20 0.36
ACE P12821 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPY1R P25929 1/20 0.35
RECQL P46063 1/20 0.35
NPY2R P49146 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL11052121 0.93 MEN1 (0.38) MEN1KMT2AOPRK1ACEKDM4E
SCHEMBL11046064 0.91 ACE (0.42) MAPK1ACE
SCHEMBL11045994 0.90 TDP1 (0.36) KMT2AMAPK1ACE
SCHEMBL11051577 0.88 ACE (0.47) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL11043214 0.83 ACE (0.42) KMT2AMAPK1ACE
SCHEMBL11049699 0.81 ACE (0.42) MAPK1ACE
SCHEMBL11045811 0.80 ACE (0.41) KMT2AMAPK1ACE
SCHEMBL11045824 0.80 MEN1 (0.36) MEN1KMT2AMAPK1ACEPOLB
SCHEMBL11047965 0.78 ACE (0.55) ACE
SCHEMBL11043199 0.78 ACE (0.55) ACE

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-4461896-A 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-07-24 US disclosed