SCHEMBL11630554

SCHEMBL11630554

CN(C)C(=O)Nc1cccc(CC(=O)OC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.42
PNPLA2 Q96AD5 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL11629065 0.99 CYP19A1 (0.47) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL11627422 0.96 CYP19A1 (0.44) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL11629750 0.90 CYP19A1 (0.51) CYP19A1SMN1; SMN2TP53PNPLA2HDAC6
SCHEMBL11631641 0.81 TP53 (0.51) KMT2ASMN1; SMN2TP53PNPLA2HDAC6
SCHEMBL11630843 0.81 EPHX2 (0.60) SMN1; SMN2RAB9APOLBNPC1
SCHEMBL11627155 0.80 POLB (0.56) SMN1; SMN2RAB9APOLBATMTP53
SCHEMBL11629895 0.80 EPHX2 (0.57) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL11175525 0.79 F2 (0.54) MEN1CYP1A2CYP3A4MAPTKMT2A
SCHEMBL11630837 0.78 NPC1 (0.65) SMN1; SMN2RAB9APOLBATMNPC1
SCHEMBL11629505 0.78 TP53 (0.48) MEN1MAPTKMT2ASMN1; SMN2TP53

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-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed