SCHEMBL21157258

SCHEMBL21157258

N=C(CCc1c(O)ccc2ccccc12)OC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 7/20 0.55
GAA P10253 5/20 0.55
HSD17B10 Q99714 3/20 0.55
HPGD P15428 2/20 0.55
GLA P06280 1/20 0.55
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 7/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TDP1 Q9NUW8 3/20 0.44
HTT P42858 1/20 0.43
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 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
SCHEMBL8890863 0.82 KDM4E (0.70) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL4569189 0.79 KDM4E (0.61) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL27925834 0.76 KDM4E (0.66) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL226196 0.76 HSD17B10 (0.76) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL4019720 0.72 HSD17B10 (0.70) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL4889683 0.72 KDM4E (1.00) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL30873471 0.71 HSD17B10 (0.68) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL8398635 0.71 HSD17B10 (0.68) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL4313850 0.71 HSD17B10 (0.68) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL10907729 0.71 HSD17B10 (0.58) KDM4EALDH1A1GAAHSD17B10HPGD

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
WO-2019135604-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY 기초과학연구원 2019-07-11 WO disclosed