SCHEMBL9467925

SCHEMBL9467925

COCC(OC)C(C)N(C(=O)CCl)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ALDH1A1 P00352 7/20 0.43
TP53 P04637 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TRPM8 Q7Z2W7 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL9212083 0.84 THRB (0.57) THRBALDH1A1TP53LMNASMN1; SMN2
Ethane SCHEMBL4336672 0.83 THRB (0.56) THRBALDH1A1TP53LMNASMN1; SMN2
SCHEMBL9211321 0.74 THRB (0.55) THRBALDH1A1TP53LMNASMN1; SMN2
SCHEMBL6880410 0.73 THRB (0.67) THRBALDH1A1TP53LMNASMN1; SMN2
SCHEMBL6880404 0.73 THRB (0.67) THRBALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11019630 0.71 ALDH1A1 (0.43) THRBALDH1A1TP53LMNASMN1; SMN2
SCHEMBL10428821 0.71 ALDH1A1 (0.54) ALDH1A1TP53LMNASMN1; SMN2GAA
SCHEMBL10371941 0.71 THRB (0.42) THRBALDH1A1TP53LMNASMN1; SMN2
SCHEMBL9212885 0.70 TP53 (0.64) ALDH1A1TP53LMNASMN1; SMN2MEN1
SCHEMBL9212624 0.70 ALDH1A1 (0.46) THRBALDH1A1TP53LMNASMN1; SMN2

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
US-5215570-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed
EP-0365484-B1 SULFAMOYL PHENYL UREAS CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0365484-A1 Sulfamoyl phenyl ureas CIBA-GEIGY AG (CH) 1990-04-25 EP disclosed