SCHEMBL7772048

SCHEMBL7772048

COC(=O)Cn1c(C)cc(CC2CCCCC2)c(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
KAT2B Q92831 1/20 0.43
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CASP1 P29466 1/20 0.40
MAOA P21397 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ELANE P08246 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7773572 0.93 F2 (0.44) F2PRSS1KAT2BCTSBCTSS
SCHEMBL7773573 0.80 KAT2B (0.44) KAT2BCASP1MAOASMN1; SMN2ALDH1A1
SCHEMBL7767872 0.79 KAT2B (0.46) F2PRSS1KAT2BCASP1MAOA
SCHEMBL7775662 0.79 KAT2B (0.43) KAT2BCASP1MAOASMN1; SMN2ALDH1A1
SCHEMBL7773577 0.79 KAT2B (0.47) F2PRSS1KAT2BCASP1MAOA
SCHEMBL7772041 0.78 KAT2B (0.47) F2PRSS1KAT2BCASP1MAOA
SCHEMBL7380302 0.77 NPC1 (0.48) F2PRSS1KAT2BCASP1MAOA
SCHEMBL7771932 0.75 F2 (0.42) F2PRSS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27501507 0.73 ELANE (0.62) F2PRSS1KAT2BCASP1SMN1; SMN2
SCHEMBL8123909 0.72 CYP1A2 (0.45) KAT2BCASP1MAOASMN1; SMN2ALDH1A1

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
US-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed