SCHEMBL9829362

SCHEMBL9829362

CCOC(=O)CCN(CC(=O)O)c1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.38
ALOX5 P09917 1/20 0.37
KAT2B Q92831 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
LTA4H P09960 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CETP P11597 2/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4Z1 Q86W10 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10407538 0.86 HPGD (0.41) SMN1; SMN2ALOX5CYP4F2CYP4A11MEN1
SCHEMBL10408297 0.86 HPGD (0.41) SMN1; SMN2MEN1HPGDKMT2ATSHR
SCHEMBL10407366 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALOX5CYP4F2CYP4A11LTA4H
SCHEMBL10407495 0.83 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AALOX5CYP4F2CYP4A11
SCHEMBL10407410 0.82 CETP (0.45) SMN1; SMN2ALOX5CYP4F2CYP4A11CETP
SCHEMBL9829977 0.81 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AALOX5KAT2BCYP4F2
SCHEMBL9830348 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5KAT2BCYP4F2CYP4A11
SCHEMBL9829742 0.80 SMN1; SMN2 (0.49) SMN1; SMN2ALOX5CYP4F2CYP4A11LTA4H
SCHEMBL10407235 0.80 SMN1; SMN2 (0.43) SMN1; SMN2ALOX5KAT2BCYP4F2CYP4A11
SCHEMBL9829786 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5CYP4F2CYP4A11LTA4H

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