SCHEMBL27947273

SCHEMBL27947273

CCC(C)NC(=O)Oc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
OGG1 O15527 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL27898899 0.89 FAAH (0.52) FAAHOGG1TRPV1ALDH1A1BCHE
SCHEMBL9623340 0.85 OGG1 (0.54) FAAHOGG1TRPV1BCHEACHE
SCHEMBL11060563 0.82 CYP1A2 (0.58) FAAHALDH1A1BCHEACHE
SCHEMBL5702114 0.79 FAAH (0.62) FAAH
SCHEMBL11863230 0.79 ACHE (0.44) FAAHALDH1A1BCHEACHE
SCHEMBL11800819 0.77 BCHE (0.54) FAAHOGG1TRPV1ALDH1A1BCHE
SCHEMBL11871674 0.77 POLB (0.51) FAAHALDH1A1BCHEACHEKDM4E
SCHEMBL11187347 0.77 BCHE (0.47) FAAHALDH1A1BCHEACHEKDM4E
SCHEMBL30409264 0.75 FAAH (0.50) FAAHOGG1TRPV1ALDH1A1BCHE
SCHEMBL30407567 0.75 FAAH (0.50) FAAHOGG1TRPV1ALDH1A1BCHE

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
CN-107207546-B Ligand component, related reaction product, activated reaction product, composition containing same and preparation method thereof 美国陶氏有机硅公司 2020-06-09 CN disclosed
CN-103476870-A Compositions comprising phosphate ester catalysts and methods of making and using the same DOW CORNING 2013-12-25 CN disclosed