SCHEMBL9534895

SCHEMBL9534895

CCc1cccc(CC)c1NC(=O)c1c2n(c(C)c(C)c1=O)CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
CFTR P13569 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9538659 0.89 CTDSP1 (0.42) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL9535621 0.89 CTDSP1 (0.42) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL9534524 0.89 CTDSP1 (0.42) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL9536092 0.88 CTDSP1 (0.41) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL9536103 0.88 CTDSP1 (0.41) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL9534154 0.84 CTDSP1 (0.43) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL10512411 0.83 CTDSP1 (0.38) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL9534232 0.83 CTDSP1 (0.44) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL9537574 0.82 CTDSP1 (0.41) CTDSP1TSHRALDH1A1GAATP53
SCHEMBL9534929 0.81 CTDSP1 (0.42) CTDSP1TSHRALDH1A1GAATP53

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-0312019-B1 CONDENSED HETEROCYCLIC COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND A HERBICIDAL COMPOSITION THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-04 EP claimed
EP-0312019-A2 Condensed heterocyclic compounds, a process for preparing the same and a herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-19 EP claimed