SCHEMBL9040663

SCHEMBL9040663

COc1c(C)cccc1-c1c(Cl)[c]ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AR P10275 2/20 0.34
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32
CTSA P10619 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
ADORA2A P29274 1/20 0.30

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
SCHEMBL1982913 0.80 PLA2G7 (0.36) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8309994 0.76 APP (0.44) MEN1KMT2AKDM4EMAPT
SCHEMBL8012068 0.73 KDM4E (0.31) KDM4EGAA
SCHEMBL3011522 0.72 NOTUM (0.37)
SCHEMBL9729126 0.71 CYP2A6 (0.41) KDM4ERAB9ANPC1GAAADORA2A
SCHEMBL159595 0.70 ALDH1A1 (0.39) KDM4EGAA
SCHEMBL10410188 0.70 GRIA1 (0.38) GAAL3MBTL1
SCHEMBL3236165 0.68 RAB9A (0.50) KMT2AKDM4ERAB9AMAPTNPC1
SCHEMBL14976166 0.68 CYP1A2 (0.36) MEN1KMT2A
SCHEMBL10621165 0.68 NOTUM (0.39)

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
EP-0716654-A1 SUBSTITUTED LACTIC-ACID DERIVATIVES WITH AN ORGANIC N-GROUP IN THE BETA POSITION, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND ANTIDOTES BASF AKTIENGESELLSCHAFT (DE) 1996-06-19 EP disclosed