SCHEMBL9831398

SCHEMBL9831398

CCOC(=O)CCN(CC(=O)O)c1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALOX5 P09917 1/20 0.41
LTA4H P09960 2/20 0.41
NLRP3 Q96P20 3/20 0.40
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.37
PPID Q08752 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TOP2A P11388 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9833415 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ALOX5LTA4HNLRP3CYP4F2
SCHEMBL9832361 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ALOX5LTA4HNLRP3CYP4F2
SCHEMBL9831853 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALOX5LTA4HNLRP3CYP4F2
SCHEMBL9829742 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL9832157 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL11141812 0.82 ESR1 (0.40) ALDH1A1MAPTTP53CYP3A4TDP1
SCHEMBL9829514 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALOX5LTA4HALDH1A1HSD17B10
SCHEMBL341369 0.79 TDP1 (0.41) SMN1; SMN2ALDH1A1HSD17B10MAPTTP53
SCHEMBL11138800 0.79 ELANE (0.41) ALDH1A1MAPTTP53CYP3A4POLB
SCHEMBL10407520 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ALOX5LTA4HMAPT

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