SCHEMBL9833337

SCHEMBL9833337

CCOC(=O)C1CCC(N2CCC(=O)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 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
SCHEMBL9831080 0.92 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1134501 0.91 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13618163 0.91 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1134499 0.91 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL26117694 0.79 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3882849 0.79 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9829974 0.78 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2372673 0.77 MEN1 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8301383 0.77 MEN1 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28443083 0.76 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AHTT

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 2 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