SCHEMBL9830592

SCHEMBL9830592

CCOC(=O)CCN(CC(=O)O)Cc1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
MEP1B Q16820 1/20 0.44
ALOX5 P09917 1/20 0.43
LTA4H P09960 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HSP90AA1 P07900 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39

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
SCHEMBL9829350 0.88 ALOX5 (0.50) KMT2AALOX5LTA4HSMN1; SMN2NPC1
SCHEMBL9830799 0.87 MEP1B (0.49) KMT2AMEP1BLTA4HPPARGPPARA
SCHEMBL9831206 0.84 SMN1; SMN2 (0.46) KMT2AMEP1BALOX5LTA4HSMN1; SMN2
SCHEMBL14325933 0.84 TAS2R14 (0.49) MEP1BPPARGPPARANPC1JAK2
SCHEMBL10232316 0.82 MEP1B (0.50) KMT2AMEP1BLTA4HPPARGPPARA
SCHEMBL4321470 0.81 SMN1; SMN2 (0.51) KMT2AALOX5LTA4HSMN1; SMN2NPC1
SCHEMBL9830890 0.81 SMN1; SMN2 (0.43) KMT2AALOX5LTA4HSMN1; SMN2ALDH1A1
SCHEMBL10407429 0.81 ALDH1A1 (0.52) KMT2AALDH1A1
SCHEMBL9324850 0.80 SMN1; SMN2 (0.55) KMT2AALOX5LTA4HSMN1; SMN2NPC1
SCHEMBL10232375 0.80 TAS2R14 (0.52) MEP1BPPARGPPARANPC1JAK2

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