SCHEMBL10795663

SCHEMBL10795663

CCCOC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10792171 0.91 TSHR (0.49) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL1128004 0.85 ALDH1A1 (0.47) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL23773682 0.77 ALDH1A1 (0.44) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL10795656 0.76 ALDH1A1 (0.57) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL20324682 0.76 ALDH1A1 (0.50) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL124904 0.75 ALDH1A1 (0.51) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL6164008 0.73 HPGD (0.62) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL2441984 0.70 MEN1 (0.40) TSHRALDH1A1MAPTKMT2AHPGD
Butane SCHEMBL9547559 0.69 LMNA (0.53) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL9196237 0.69 HPGD (0.57) TSHRALDH1A1MAPTKMT2AHPGD

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
US-RE32489-E Herbicidal substituted 2-(1-(oxyamino)-alkylidene)-cyclohexane-1,3-diones CHEVRON RESEARCH COMPANY (US) 1987-09-01 US disclosed
US-4440566-A Herbicidal substituted 2-(1-(oxyamino)-alkylidene)-cyclohexane-1,3-diones CHEVRON RESEARCH COMPANY (US) 1984-04-03 US disclosed