SCHEMBL9832157

SCHEMBL9832157

CCOC(=O)CCN(CC(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALOX5 P09917 1/20 0.46
▸ LTA4H P09960 2/20 0.45
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ TOP2A P11388 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GALR3 O60755 1/20 0.40

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
SCHEMBL9831449 0.92 SMN1; SMN2 (0.61) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL10525189 0.91 SMN1; SMN2 (0.67) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL9831771 0.90 SMN1; SMN2 (0.51) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL8035941 0.88 SMN1; SMN2 (0.63) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL9829514 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ALOX5LTA4HTP53ALDH1A1
SCHEMBL10408080 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1PPARGPOLBMEN1
SCHEMBL10407546 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL10407524 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALOX5LTA4HALDH1A1PPARG
SCHEMBL10407520 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALOX5LTA4H
SCHEMBL4517708 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LTA4HCYP4F2CYP4A11ALDH1A1

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
Send feedback