SCHEMBL11047749

SCHEMBL11047749

COc1ccc2c(c1)CCC(C(=O)O)N2C(=O)CCS

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.45
MTNR1A P48039 1/20 0.44
NOTUM Q6P988 1/20 0.43
MAPK1 P28482 1/20 0.42
AGTR2 P50052 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL10921170 0.88 ACE (0.43) ACE
SCHEMBL7343593 0.84 NOTUM (0.50) ACEMTNR1ANOTUMAGTR2HSD17B10
SCHEMBL7343587 0.84 NOTUM (0.50) ACEMTNR1ANOTUMAGTR2HSD17B10
SCHEMBL11047768 0.82 MTNR1A (0.38) MTNR1ANOTUMMAPK1HSD17B10ALDH1A1
SCHEMBL11045686 0.81 KMT2A (0.49) ACEMTNR1AAGTR2ALDH1A1LMNA
SCHEMBL7305955 0.81 MTNR1A (0.48) ACEMTNR1ANOTUMAGTR2HSD17B10
SCHEMBL8742789 0.81 MTNR1A (0.48) ACEMTNR1ANOTUMAGTR2HSD17B10
SCHEMBL11045722 0.79 ACE (0.64) ACE
SCHEMBL11045862 0.79 ACE (0.64) ACE
SCHEMBL11049197 0.78 ACE (0.62) 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 2 patents. 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 claimed
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