SCHEMBL9831206

SCHEMBL9831206

CCOC(=O)CCN(CC(=O)O)Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LTA4H P09960 2/20 0.43
ALOX5 P09917 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
MEP1B Q16820 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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 0.90 ALOX5 (0.50) SMN1; SMN2CYP4F2CYP4A11LTA4HALOX5
SCHEMBL9831172 0.88 USP2 (0.46) SMN1; SMN2LTA4HALOX5TP53MAPT
SCHEMBL9830592 0.84 KMT2A (0.44) SMN1; SMN2LTA4HALOX5KMT2AMEP1B
SCHEMBL4321470 0.83 SMN1; SMN2 (0.51) SMN1; SMN2CYP4F2CYP4A11LTA4HALOX5
SCHEMBL9830890 0.83 SMN1; SMN2 (0.43) SMN1; SMN2CYP4F2CYP4A11LTA4HALOX5
SCHEMBL10407429 0.82 ALDH1A1 (0.52) KMT2ACA1CA2ALDH1A1
SCHEMBL2444866 0.82 MEP1B (0.49) SMN1; SMN2KMT2AMEP1B
SCHEMBL1140947 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP4F2CYP4A11LTA4HALOX5
SCHEMBL9324850 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP4F2CYP4A11LTA4HALOX5
SCHEMBL19177822 0.81 TDP1 (0.52) LMNAMEP1BCA1CA2TDP1

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