SCHEMBL9211509

SCHEMBL9211509

CC(C)CC(S)C(CO)CS

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.36
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RNPEP Q9H4A4 1/20 0.34

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
SCHEMBL9219324 0.85 ANPEP (0.43) ANPEPERAP2ERAP1TSHRALDH1A1
SCHEMBL9795821 0.76
SCHEMBL9788178 0.72 ANPEP (0.42) ANPEPERAP2ERAP1TSHRALDH1A1
SCHEMBL17365007 0.71 TSHR (0.47) ANPEPTSHRALDH1A1TDP1RNPEP
SCHEMBL765779 0.71 TSHR (0.47) ANPEPTSHRALDH1A1TDP1RNPEP
SCHEMBL5016256 0.71 TSHR (0.47) ANPEPTSHRALDH1A1TDP1RNPEP
SCHEMBL5026757 0.70
SCHEMBL17161191 0.69 LMNA (0.47) TSHRLMNANR1I2ALDH1A1CYP1A2
SCHEMBL27285523 0.69 RNPEP (0.35) ANPEPERAP2ERAP1TSHRALDH1A1
SCHEMBL27901940 0.68 ANPEP (0.39) ANPEPERAP2ERAP1RNPEP

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
EP-0300797-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-10-04 EP disclosed
EP-0216625-A2 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-01 EP disclosed