SCHEMBL9830632

SCHEMBL9830632

CCOC(=O)C1CN(c2ccc(OC)cc2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
GAA P10253 4/20 0.50
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
CASP3 P42574 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9829590 0.90 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL861735 0.88 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL10687043 0.88 ALDH1A1 (0.51) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL9831793 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL9831685 0.86 LMNA (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL9832087 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL9832198 0.86 CASP3 (0.43) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL9829085 0.85 ALDH1A1 (0.46) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL9830725 0.84 CA12 (0.46) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL27868771 0.84 MAPT (0.39) ALDH1A1GAAKDM4EHPGDHSD17B10

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 5 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 claimed
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 claimed
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