SCHEMBL8136649

SCHEMBL8136649

COC(=O)c1ccc(OC)c(-c2cc(C)no2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.45
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.40
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL8138255 0.89 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL8137248 0.87 NOTUM (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8135182 0.82 MEN1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5704595 0.80 NOTUM (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8712680 0.79 MEN1 (0.34) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5704574 0.76 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL5704571 0.72 KDM4E (0.39) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL5204512 0.72 KDM4E (0.43) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL5209607 0.72 ALDH1A1 (0.54) MEN1KMT2AMAPK1L3MBTL1TP53
SCHEMBL8128577 0.72 MAPT (0.36) MEN1KMT2AMAPK1MAPTTP53

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-6100421-A METHYL 3-FORMYL-4-METHANESULFONYL-2-METHYLBENZOATE, USEFUL AS A STARTING MATERIAL FOR HERBICIDE MANUFACTURE NIPPON SODA CO., LTD. (JP) 2000-08-08 US disclosed
EP-0894792-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-02-03 EP disclosed