SCHEMBL6229846

SCHEMBL6229846

CC(=O)OCn1c[c]c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
ELANE P08246 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CREBBP Q92793 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
EGFR P00533 1/20 0.31
SLC18A3 Q16572 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
SCHEMBL2948314 0.78 KDM4E (0.38) ALDH1A1SMN1; SMN2HSD17B10LMNAKDM4E
SCHEMBL6015870 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HSD17B10
SCHEMBL6015950 0.73 KMT2A (0.50) ALDH1A1LMNAKDM4EMAPT
SCHEMBL6015705 0.73 MEN1 (0.41) ALDH1A1HSD17B10NPSR1
SCHEMBL9581979 0.72
SCHEMBL5497340 0.72 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CYP1A2HSD17B10LMNA
SCHEMBL27467119 0.71 KMT2A (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2C19LMNA
SCHEMBL9582187 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CYP1A2HSD17B10LMNA
SCHEMBL6236614 0.69 SLC9A1 (0.37) ALDH1A1HSD17B10LMNAKDM4EPOLB
SCHEMBL3209745 0.69 NOTUM (0.47) ALDH1A1SMN1; SMN2HSD17B10LMNAKDM4E

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-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
CN-100434420-C Compounds that block dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO (JP) 2008-11-19 CN disclosed
CN-1745063-A Compound inhibiting dipeptidyl peptidase iv SANWA KAGAKU KENKYUSHO CO (JP) 2006-03-08 CN disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed