SCHEMBL9724970

SCHEMBL9724970

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 3/20 0.50
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
HIF1A Q16665 1/20 0.47
NLRP3 Q96P20 5/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 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
SCHEMBL9724808 0.86 MEN1 (0.53) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL9724967 0.86 MAPT (0.67) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL9724786 0.84 DDX3X (0.51) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL9724829 0.84 BACE1 (0.54) MAPTKMT2AMEN1TP53HIF1A
SCHEMBL9724859 0.81 ALDH1A1 (0.60) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL9724920 0.81 RAB9A (0.67) MAPTKMT2AMEN1ALDH1A1NLRP3
SCHEMBL9724839 0.81 MME (0.55) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9724978 0.77 KMT2A (0.52) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL9724833 0.77 LMNA (0.54) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL9724838 0.77 ATM (0.51) MAPTKMT2AMEN1ALDH1A1CYP1A2

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed