SCHEMBL8203446

SCHEMBL8203446

CNc1c(O)cccc1C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.63
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
CA12 O43570 4/20 0.57
CA7 P43166 4/20 0.57
CA14 Q9ULX7 4/20 0.57
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
ATM Q13315 1/20 0.55
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CFTR P13569 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA5A P35218 1/20 0.46
PTPN11 Q06124 1/20 0.46
GAA P10253 1/20 0.43
CXCR2 P25025 1/20 0.42

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
SCHEMBL7422995 0.82 LMNA (0.59) LMNATSHRCA1CA2CA9
SCHEMBL27597208 0.81 KDM4E (0.55) LMNATSHRCA1CA2CA9
SCHEMBL16599381 0.81 POLB (0.55) LMNATSHRCA1CA2CA9
SCHEMBL1681296 0.81 CA12 (0.54) LMNATSHRCA1CA2CA9
SCHEMBL2684575 0.80 KDM4E (0.53) LMNATSHRCA1CA2CA9
SCHEMBL17824803 0.80 KDM4E (0.53) LMNATSHRCA1CA2CA9
SCHEMBL29453820 0.80 KDM4E (0.53) LMNATSHRCA1CA2CA9
SCHEMBL2085084 0.80 ALDH1A1 (0.65) LMNATSHRCA1CA2CA9
SCHEMBL6883362 0.79 KDM4E (0.55) LMNATSHRCA1CA2CA9
SCHEMBL28428886 0.79 KDM4E (0.51) LMNATSHRKDM4EPOLBATM

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-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed