SCHEMBL9829977

SCHEMBL9829977

CCOC(=O)CCN(CC(=O)O)c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PLA2G2A P14555 1/20 0.37
BLM P54132 1/20 0.37
KAT2B Q92831 1/20 0.36
HIF1A Q16665 1/20 0.35
LTA4H P09960 2/20 0.34
ALOX5 P09917 1/20 0.34
S1PR1 P21453 1/20 0.34
PPARG P37231 1/20 0.34
CETP P11597 1/20 0.34
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
CYP4Z1 Q86W10 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 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
SCHEMBL10407235 0.88 SMN1; SMN2 (0.43) SMN1; SMN2PLA2G2ABLMKAT2BLTA4H
SCHEMBL10407410 0.87 CETP (0.45) SMN1; SMN2ALOX5S1PR1PPARGCETP
SCHEMBL9831883 0.85 SMN1; SMN2 (0.44) SMN1; SMN2PLA2G2ABLMLTA4HALOX5
SCHEMBL10407589 0.82 SMN1; SMN2 (0.43) SMN1; SMN2PLA2G2ABLMLTA4HALOX5
SCHEMBL10407524 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LTA4HALOX5PPARGMEN1
SCHEMBL9829939 0.82 SMN1; SMN2 (0.43) SMN1; SMN2PLA2G2ABLMLTA4HALOX5
SCHEMBL9829362 0.81 SMN1; SMN2 (0.39) SMN1; SMN2KAT2BHIF1ALTA4HALOX5
SCHEMBL9831024 0.81 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2ABLMLTA4HALOX5
SCHEMBL9830348 0.81 SMN1; SMN2 (0.39) SMN1; SMN2KAT2BLTA4HALOX5CYP4F2
SCHEMBL9830144 0.81 PLA2G2A (0.46) SMN1; SMN2PLA2G2ABLMLTA4HPPARG

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 5 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 claimed
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 claimed
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