SCHEMBL6945331

SCHEMBL6945331

COC(=O)[C@@H](N)C(Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CTSD P07339 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
LMNA P02545 1/20 0.43
DPP4 P27487 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL6945334 1.00 KMT2A (0.56) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL17065349 0.81 KMT2A (0.60) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL28111441 0.81 KMT2A (0.60) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL8925930 0.81 KMT2A (0.60) KMT2ATSHRMEN1ALDH1A1CTSD
Hydrochloric Acid SCHEMBL9000965 0.81 MMP8 (0.49) KMT2ATSHRMEN1
Hydrochloric Acid SCHEMBL9000970 0.81 MMP8 (0.49) KMT2ATSHRMEN1
SCHEMBL31477408 0.80 KMT2A (0.58) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL6166986 0.80 KMT2A (0.58) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL8229829 0.80 KMT2A (0.58) KMT2ATSHRCYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9024429 0.80 KMT2A (0.58) KMT2ATSHRCYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0149263-A2 Process for preparing alpha-L-aspartyl-L-phenylalanine methyl ester DE-BI DERIVATI BIOLOGICI INTERNATIONAL S.p.A. (IT) 1985-07-24 EP claimed
EP-1046634-B1 PROCESSES FOR PRODUCING BETA-HALOGENO-ALPHA-AMINO-CARBOXYLIC ACIDS AND PHENYLCYSTEINE DERIVATIVES AND INTERMEDIATES THEREOF KANEKA CORP (JP) 2003-09-10 EP disclosed
US-4613460-A ARTIFICIAL SWEETENER DE.BI DERIVATI BIOLOGICI INTERNATIONAL S.P.A. (IT) 1986-09-23 US disclosed
EP-0149263-A2 Process for preparing alpha-L-aspartyl-L-phenylalanine methyl ester DE-BI DERIVATI BIOLOGICI INTERNATIONAL S.p.A. (IT) 1985-07-24 EP disclosed