SCHEMBL11035167

SCHEMBL11035167

Cn1c(CC(N)C(=O)O)cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC9A1 P19634 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL27449359 0.84 MCL1 (0.51) MCL1POLBFAAH
SCHEMBL11033122 0.79 CCR2 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15151075 0.79 CCR2 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12732022 0.79 POLB (0.42) MCL1POLB
SCHEMBL10480291 0.77 SLC9A1 (0.47) MCL1SLC9A1POLB
SCHEMBL30042365 0.76 MCL1 (0.57) MCL1POLBALDH1A1FAAH
SCHEMBL2343924 0.76 MCL1 (0.57) MCL1POLBALDH1A1FAAH
SCHEMBL12775583 0.76 KMT2A (0.46) POLB
SCHEMBL2592562 0.75 MCL1 (0.51) MCL1SLC9A1POLBFAAH
Acetic Acid SCHEMBL11414370 0.75 MCL1 (0.56) MCL1POLBFAAH

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-4448785-A N-Unsaturated fatty acid amides of tryptophan ester homologues and anti-cholesteric use thereof SANDOZ, INC. (US) 1984-05-15 US disclosed