SCHEMBL11474646

SCHEMBL11474646

Cc1ccc([C@@H]2[C@@H](C(=O)Cl)C2(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.41
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR1 O14842 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
CCR2 P41597 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCC1 P33527 1/20 0.33

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
SCHEMBL11395709 0.87 SLC9A1 (0.44) SLC9A1LMNAHPGDMAPTCCR2
SCHEMBL10491406 0.87 SLC9A1 (0.44) SLC9A1LMNAHPGDMAPTCCR2
SCHEMBL15977340 0.85 SLC9A1 (0.44) SLC9A1CES2CES1ALDH1A1CYP1A2
SCHEMBL3287373 0.83 SLC9A1 (0.46) SLC9A1CES2CES1ALDH1A1FFAR1
SCHEMBL11009581 0.83 SLC9A1 (0.58) SLC9A1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3287385 0.83 SLC9A1 (0.46) SLC9A1CES2CES1ALDH1A1FFAR1
SCHEMBL3287377 0.83 SLC9A1 (0.46) SLC9A1CES2CES1ALDH1A1FFAR1
SCHEMBL11406519 0.82 SLC9A1 (0.40) SLC9A1ALDH1A1CYP2C9LMNAMAPT
Hydrochloric Acid SCHEMBL11474654 0.81 SLC9A1 (0.45) SLC9A1CES2CES1ALDH1A1FFAR1
SCHEMBL11309086 0.81 POLB (0.40) SLC9A1ALDH1A1CYP1A2CYP2C19LMNA

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