SCHEMBL9829914

SCHEMBL9829914

CCOC(=O)c1ccc(CN2CCC(=O)C2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.51
ALDH1A1 P00352 4/20 0.47
POLB P06746 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ABCB1 P08183 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MAPT P10636 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
SCHEMBL9829064 0.87 ALDH1A1 (0.43) HSD17B2ALDH1A1POLBTDP1TSHR
SCHEMBL9831086 0.83 POLB (0.44) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL9831170 0.79 KMT2A (0.59) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL9831632 0.79 HSD17B2 (0.53) HSD17B2ALDH1A1POLBTDP1TSHR
SCHEMBL9831999 0.78 KDM4E (0.68) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL9830759 0.78 LMNA (0.47) ALDH1A1POLBTSHRKDM4ESMN1; SMN2
SCHEMBL9829790 0.76 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ENPC1RAB9A
SCHEMBL9830524 0.75 POLB (0.63) ALDH1A1POLBTDP1TSHRKDM4E
SCHEMBL14582858 0.75 HSD17B2 (0.68) HSD17B2ALDH1A1POLBTSHRMAPK1
SCHEMBL5161173 0.73 HSD17B2 (0.66) HSD17B2ALDH1A1POLBTSHRMAPK1

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 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