SCHEMBL8583135

SCHEMBL8583135

CCC(CC)c1ccc(C(=O)OC)c([N+](=O)[O-])c1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.39
POLB P06746 1/20 0.36
ALDH1A1 P00352 7/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
MEN1 O00255 2/20 0.34
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL8581805 0.81 CMA1 (0.43) ALDH1A1TSHRKDM4EHPGDMAPT
SCHEMBL8529635 0.80 SLC9A1 (0.39)
SCHEMBL8582971 0.80 KDM4E (0.37) POLBALDH1A1TSHRKDM4EHPGD
SCHEMBL8582606 0.80 KDM4E (0.37) POLBALDH1A1TSHRKDM4EHPGD
SCHEMBL8585015 0.80 KDM4E (0.37) POLBALDH1A1TSHRKDM4EHPGD
SCHEMBL8579193 0.78 KDM4E (0.36) ALDH1A1TSHRKDM4EHPGDMAPT
SCHEMBL8581321 0.77 TRPV1 (0.39) VCAM1POLBALDH1A1TSHRKDM4E
SCHEMBL8583140 0.76 TRPV1 (0.40) VCAM1POLBALDH1A1KDM4EHPGD
SCHEMBL8583192 0.74 CMA1 (0.40) ALDH1A1TSHRKDM4EHPGDMAPT
SCHEMBL8581247 0.73 KDM4E (0.35) POLBALDH1A1TSHRKDM4EHPGD

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-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed