SCHEMBL9650922

SCHEMBL9650922

CCCc1c([N+](=O)[O-])cc(C(=O)O)n1CC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.40
HCAR3 P49019 9/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CCR2 P41597 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CASP6 P55212 1/20 0.35

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
SCHEMBL9651112 0.75 GAA (0.40) HCAR3GAAMAPTCCR2TSHR
SCHEMBL7993476 0.70 CCR2 (0.64) GPR35MAPTCCR2TSHRALDH1A1
SCHEMBL9651130 0.70 MAPT (0.42) HCAR3GAAMAPTTSHRALDH1A1
SCHEMBL9651421 0.69 HCAR3 (0.39) HCAR3GAAMAPTCCR2ALDH1A1
SCHEMBL1415761 0.66 CCR2 (0.63) GPR35MAPTCCR2
SCHEMBL6180268 0.65 HCAR3 (0.64) HCAR3TSHRCASP6
SCHEMBL8330002 0.64 GPR35 (0.53) GPR35CCR2TSHRALDH1A1
SCHEMBL9651121 0.64 PKM (0.37) HCAR3GAAMAPTTSHRALDH1A1
SCHEMBL17399916 0.64 CASP6 (0.60) HCAR3TSHRCASP6
SCHEMBL10487614 0.63 PTPN1 (0.46) HCAR3GAAMAPTTSHR

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
EP-0517225-A1 Aminopyrrolidine platinum compounds, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1992-12-09 EP disclosed