SCHEMBL7797349

SCHEMBL7797349

CCC(OC)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.61
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7800402 0.85 ALDH1A1 (0.55) KLK7ALDH1A1KMT2ARAB9AMAPT
SCHEMBL7800401 0.85 ALDH1A1 (0.55) KLK7ALDH1A1KMT2ARAB9AMAPT
SCHEMBL29006054 0.84 KLK7 (0.52) KLK7L3MBTL1GAAALDH1A1KMT2A
SCHEMBL6527328 0.83 KLK7 (0.64) KLK7GAAALDH1A1KMT2AMAPT
SCHEMBL19592404 0.80 MEN1 (0.65) GAAALDH1A1KMT2ARAB9AMAPT
SCHEMBL10728276 0.78 ALDH1A1 (0.50) KLK7GAAALDH1A1KMT2ARAB9A
SCHEMBL20852746 0.78 CA1 (0.62) KLK7ALDH1A1KMT2ARAB9AMAPT
SCHEMBL19965677 0.78 CA1 (0.62) KLK7ALDH1A1KMT2ARAB9AMAPT
SCHEMBL10725224 0.77 KMT2A (0.67) KLK7GAAALDH1A1KMT2AMEN1
SCHEMBL16936060 0.77 KLK7 (1.00) KLK7

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
EP-1163206-A1 METHOD FOR HYDROLYZING OPTICALLY ACTIVE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2001-12-19 EP disclosed
WO-2000056699-A1 METHOD FOR HYDROLYZING OPTICALLY ACTIVE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-09-28 WO disclosed