SCHEMBL7723017

SCHEMBL7723017

O=C(N[C@H](CCc1ccccc1)C(O)c1nc2cc(Cl)ccc2o1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
CETP P11597 1/20 0.44
ATM Q13315 1/20 0.43
OPRK1 P41145 2/20 0.41
CTSL P07711 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
PTPN7 P35236 1/20 0.40
OPRD1 P41143 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
XDH P47989 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
SCHEMBL7732434 0.86 CTSL (0.43) ATMCTSLMAPTNPC1RAB9A
SCHEMBL7734143 0.86 ATM (0.46) ATMCTSL
SCHEMBL7732452 0.80 LMNA (0.42) LMNAKMT2ACETPTP53SMN1; SMN2
SCHEMBL7731860 0.79 FAAH (0.46) ATMCTSL
SCHEMBL6465745 0.78 KMT2A (0.43) LMNAKMT2ACETPCTSLMEN1
SCHEMBL8066055 0.78 ATM (0.49) ATM
SCHEMBL8143055 0.78 ATM (0.49) ATM
SCHEMBL8232719 0.78 PRSS1 (0.48) ATM
SCHEMBL8066082 0.78 TRPM8 (0.47) ATMCTSLNPC1RAB9A
SCHEMBL6063007 0.78 CTSL (0.51) CTSL

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-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed