SCHEMBL10906007

SCHEMBL10906007

C=CCOC(=O)CCON

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 8/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 3/20 0.36
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CASP1 P29466 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 2/20 0.30

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
SCHEMBL10903309 0.88 TSHR (0.58) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL10909893 0.86 TSHR (0.61) TSHRTDP1PKMSMN1; SMN2ALDH1A1
Ethylenediamine SCHEMBL7747400 0.83 TSHR (0.55) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL3430112 0.83 TSHR (0.55) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL56403 0.82 TSHR (0.63) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL10749240 0.81 TSHR (0.53) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL14212039 0.80 TSHR (0.57) TSHRTDP1PKMSMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL29207431 0.80 TSHR (0.61) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL28545578 0.80 TSHR (0.61) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL9062792 0.79 TSHR (0.56) TSHRTDP1PKMSMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100900-B1 NOVEL (3.2.0.) BICYCLOHEPTANONE OXIME ETHERS WITH VALUABLE THERAPEUTIC PROPERTIES SYNTEX (U.S.A.) INC. (US) 1986-02-05 EP disclosed
US-4552898-A CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-11-12 US disclosed
EP-0100900-A1 Novel (3.2.0.) bicycloheptanone oxime ethers with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1984-02-22 EP disclosed
US-4423068-A (3.2.0) Bicycloheptanone oxime ethers with therapeutic properties SYNTEX (U.S.A.) INC. (US) 1983-12-27 US disclosed