SCHEMBL9831563

SCHEMBL9831563

CCOC(=O)C1CCN(c2cc(C)c(C)c(C)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LGMN Q99538 2/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL16695436 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPSR1LGMNMAPT
SCHEMBL9831520 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRNPSR1LGMN
SCHEMBL9830924 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRLGMNMAPT
SCHEMBL9829829 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRLGMNMEN1
SCHEMBL9831805 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRNPSR1MAPT
SCHEMBL21533588 0.78 LGMN (0.69) ALDH1A1SMN1; SMN2LGMNMAPTMEN1
SCHEMBL31250392 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LGMNMAPTMEN1
SCHEMBL6501131 0.77 LGMN (0.61) ALDH1A1SMN1; SMN2TSHRLGMNMAPT
SCHEMBL9831919 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRNPSR1LGMN
SCHEMBL31516231 0.76 GAA (0.62) ALDH1A1SMN1; SMN2LGMNMAPTMEN1

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