SCHEMBL9832735

SCHEMBL9832735

CCOC(=O)c1cc(C)c(N2CCC(=O)C2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 4/20 0.44
MAPT P10636 5/20 0.41
KDM4E B2RXH2 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
HTT P42858 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TP53 P04637 1/20 0.39
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
TSHR P16473 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
SCHEMBL9830967 0.83 SRD5A1 (0.49) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9830224 0.81 MAPT (0.55) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9831758 0.80 KDM4E (0.42) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9832359 0.80 BAZ2B (0.47) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9830197 0.79 MAPT (0.41) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9829654 0.79 KMT2A (0.45) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9832169 0.77 PDE3B (0.40) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9832862 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKDM4ERARA
SCHEMBL9832079 0.77 PDE3B (0.40) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9829790 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNAMAPTKDM4E

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