SCHEMBL9832750

SCHEMBL9832750

CCOC(=O)C1CN(c2ccc(C)c(C)c2)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
CASP3 P42574 1/20 0.42
LGMN Q99538 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 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
SCHEMBL10407562 0.87 ALDH1A1 (0.43) ALDH1A1POLBMAPTKDM4ECASP3
SCHEMBL861735 0.85 ALDH1A1 (0.45) ALDH1A1POLBMAPTKDM4ECASP3
SCHEMBL9829380 0.85 ALDH1A1 (0.45) ALDH1A1POLBMAPTKDM4ELGMN
SCHEMBL9831584 0.85 LGMN (0.40) ALDH1A1POLBMAPTKDM4ELGMN
SCHEMBL9833258 0.85 MAPT (0.55) ALDH1A1MAPTKDM4ECASP3LGMN
SCHEMBL9830725 0.84 CA12 (0.46) ALDH1A1POLBMAPTKDM4EHTT
SCHEMBL9830218 0.84 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHTTGAA
SCHEMBL9832087 0.83 ALDH1A1 (0.43) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9832198 0.83 CASP3 (0.43) ALDH1A1POLBMAPTKDM4ECASP3
SCHEMBL9831685 0.83 LMNA (0.46) ALDH1A1POLBMAPTKDM4ECASP3

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 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
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