SCHEMBL11380672

SCHEMBL11380672

CCCCOC(=O)c1nc(Cl)c(Cl)n1COCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 6/20 0.39
MAPK1 P28482 3/20 0.36
CYP3A4 P08684 3/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL11385727 0.95 MAPT (0.47) L3MBTL1LMNAMAPTATMGAA
SCHEMBL11385663 0.94 ALDH1A1 (0.37) L3MBTL1LMNAMAPTATMGAA
SCHEMBL11377048 0.88 MAPT (0.31) L3MBTL1LMNAMAPTATMGAA
SCHEMBL11391023 0.87 TSHR (0.38) L3MBTL1LMNAMAPTATMGAA
SCHEMBL11385100 0.84 POLB (0.33) POLB
SCHEMBL11386132 0.81 TSHR (0.38) LMNAMAPTTSHRHSD17B10CYP1A2
SCHEMBL11385921 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11382314 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11377845 0.78 ALDH1A1 (0.32) MAPTGAAALDH1A1
SCHEMBL11382418 0.75 TSPO (0.32) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268681-A HERBICIDES, PLANT GROWTH REGULATORS, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4185991-A 4,5-Dichloro-imidazole derivatives and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1980-01-29 US disclosed
US-4178166-A HERBICIDES, INSECTICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-12-11 US disclosed