SCHEMBL9831313

SCHEMBL9831313

CCOC(=O)CCN(CC(=O)O)c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALOX5 P09917 1/20 0.41
LMNA P02545 3/20 0.40
LTA4H P09960 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
PLIN1 O60240 1/20 0.39
PLIN5 Q00G26 1/20 0.39
KMT2A Q03164 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL9831732 0.89 ALDH1A1 (0.40) TDP1SMN1; SMN2ALOX5LMNALTA4H
SCHEMBL9829742 0.85 SMN1; SMN2 (0.49) TDP1SMN1; SMN2ALOX5LMNALTA4H
SCHEMBL9830077 0.84 TSHR (0.43) SMN1; SMN2LMNALTA4HMAPTKMT2A
SCHEMBL9831726 0.84 KEAP1 (0.44) TDP1LMNALTA4HL3MBTL1POLB
SCHEMBL10408046 0.83 SMN1; SMN2 (0.47) TDP1SMN1; SMN2ALOX5LTA4HPOLB
SCHEMBL10407580 0.83 SMN1; SMN2 (0.47) TDP1SMN1; SMN2ALOX5LTA4HPOLB
SCHEMBL10407366 0.83 SMN1; SMN2 (0.47) TDP1SMN1; SMN2ALOX5LTA4HPOLB
SCHEMBL5465593 0.82 TDP1 (0.56) TDP1LMNAL3MBTL1POLBMAPT
SCHEMBL10395082 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5LMNALTA4HL3MBTL1
SCHEMBL3651761 0.82 TDP1 (0.70) TDP1SMN1; SMN2LMNAL3MBTL1POLB

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