SCHEMBL11062094

SCHEMBL11062094

CC(C)C(N)C(=O)OCc1cccc(Oc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
TARS1 P26639 1/20 0.37
SLC15A1 P46059 1/20 0.37
F2 P00734 3/20 0.37
F10 P00742 3/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
P2RX3 P56373 4/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36
PLA2G10 O15496 1/20 0.36
OPRM1 P35372 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PTGS1 P23219 1/20 0.35
ADAMTS4 O75173 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
SCHEMBL11118998 0.89 SCN9A (0.43) P2RX3
SCHEMBL11071446 0.83 ALDH1A1 (0.38) KCNH2TRPV3P2RX3ALDH1A1HSD17B14
SCHEMBL11460618 0.82 ALOX5 (0.40) LMNAPTGS1
SCHEMBL11065707 0.82 ADAMTS4 (0.39) TRPV3P2RX3ALDH1A1ADAMTS4
SCHEMBL11167591 0.82 P2RX3 (0.42) P2RX3ALDH1A1LMNA
SCHEMBL11275809 0.81 ALDH1A1 (0.47) KCNH2F2F10PRSS1PRSS2
SCHEMBL11478773 0.81 ADAMTS4 (0.39) TRPV3P2RX3ALDH1A1LMNAADAMTS4
SCHEMBL11066972 0.81 ALDH1A1 (0.36) KCNH2TRPV3P2RX3ALDH1A1HSD17B14
SCHEMBL11072017 0.80 ADAMTS4 (0.38) TRPV3P2RX3ALDH1A1OPRM1ADAMTS4
SCHEMBL11069125 0.79 ADAMTS4 (0.38) TRPV3P2RX3ALDH1A1LMNAADAMTS4

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
US-4447613-A Pyridyl esters and thiolesters of aminoalkanoic acids ZOECON CORPORATION (US) 1984-05-08 US disclosed
US-4269981-A Certain pyridylmethyl esters of formamido-lower-alkanoates and derivatives thereof ZOECON CORPORATION (US) 1981-05-26 US disclosed
US-4247701-A Certain pesticidal substituted amino lower-alkanoates or lower-alkano-thioates containing pyridyl in the ester portion ZOECON CORPORATION (US) 1981-01-27 US disclosed