SCHEMBL9831079

SCHEMBL9831079

CCOC(=O)C1CN(Cc2cc(OC)ccc2OC)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 6/20 0.56
POLB P06746 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 1/20 0.47
TACR1 P25103 2/20 0.46
NPC1 O15118 1/20 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
SCHEMBL9832321 0.91 ALDH1A1 (0.65) ALDH1A1KDM4EPOLBTDP1TSHR
SCHEMBL10408282 0.86 KDM4E (0.51) ALDH1A1KDM4EPOLBTDP1TSHR
SCHEMBL9829910 0.85 MEN1 (0.48) ALDH1A1KDM4EPOLBTDP1TSHR
SCHEMBL9831746 0.83 KDM4E (0.48) ALDH1A1KDM4EPOLBTDP1MEN1
SCHEMBL9829833 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBTDP1TSHR
SCHEMBL9830351 0.82 KDM4E (0.54) ALDH1A1KDM4EPOLBTDP1MAPK1
SCHEMBL9831768 0.81 KDM4E (0.64) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL9830753 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBTDP1TSHR
SCHEMBL9831135 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBTDP1TSHR
SCHEMBL10408322 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBTDP1TSHR

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 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