SCHEMBL9832100

SCHEMBL9832100

CCOC(=O)CCN(CC(=O)O)c1ccc(Br)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.37
ALOX5 P09917 1/20 0.36
LTA4H P09960 2/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ALDH1A1 P00352 2/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
THRA P10827 1/20 0.34

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
SCHEMBL9831307 0.92 PPARG (0.43) SMN1; SMN2PPARGALOX5LTA4HCYP4F2
SCHEMBL9831024 0.87 SMN1; SMN2 (0.42) SMN1; SMN2PPARGALOX5LTA4HCYP4F2
SCHEMBL10407546 0.85 SMN1; SMN2 (0.46) SMN1; SMN2PPARGALOX5LTA4HCYP4F2
SCHEMBL9832038 0.84 SMN1; SMN2 (0.45) SMN1; SMN2PPARGALOX5LTA4HCYP4F2
SCHEMBL10408081 0.84 SMN1; SMN2 (0.48) SMN1; SMN2PPARGALOX5LTA4HALDH1A1
SCHEMBL10407598 0.83 SMN1; SMN2 (0.44) SMN1; SMN2PPARGALOX5LTA4HCYP4F2
SCHEMBL10408080 0.83 SMN1; SMN2 (0.46) SMN1; SMN2PPARGALDH1A1LMNAMAPT
SCHEMBL9829939 0.83 SMN1; SMN2 (0.43) SMN1; SMN2PPARGALOX5LTA4HCYP4F2
SCHEMBL9831771 0.82 SMN1; SMN2 (0.51) SMN1; SMN2PPARGALOX5LTA4HCYP4F2
SCHEMBL10407410 0.82 CETP (0.45) SMN1; SMN2PPARGALOX5CYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed