SCHEMBL11474652

SCHEMBL11474652

Cc1ccc(C2C(OC(=O)Cl)C2(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ABCC1 P33527 1/20 0.31
GAA P10253 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL11395710 0.88 MAPK1 (0.40) ALDH1A1LMNAMEN1KMT2ASLC6A4
SCHEMBL11406520 0.84 ESR2 (0.36) ALDH1A1CYP2C9LMNASLC6A3
SCHEMBL11394882 0.84 MAPT (0.40) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL11308075 0.83 POLB (0.37) ALDH1A1CYP1A2CYP2C19LMNAMEN1
SCHEMBL11311893 0.83 CHRM2 (0.35) ALDH1A1CYP2C9LMNAMEN1KMT2A
SCHEMBL11399489 0.83 MAPK1 (0.31)
SCHEMBL11397455 0.81 POLB (0.38) CES2CES1ALDH1A1CYP3A4SLC6A3
SCHEMBL11304869 0.78 TSHR (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11474646 0.74 SLC9A1 (0.41) CES2CES1ALDH1A1CYP1A2CYP3A4
SCHEMBL15977340 0.69 SLC9A1 (0.44) CES2CES1ALDH1A1CYP1A2CYP3A4

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-4215138-A Insecticidal compounds of phenylcyclopropane carboxylic acid esters NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1980-07-29 US disclosed