SCHEMBL6931481

SCHEMBL6931481

COc1cccc(SC(C)CCO)c1OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
NFE2L2 Q16236 3/20 0.36
HTR1A P08908 1/20 0.36
HTR3A P46098 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL6934494 0.86 KMT2A (0.46) TSHRKMT2A
SCHEMBL6937304 0.75 EGFR (0.34) ALDH1A1KMT2AHTT
SCHEMBL6068857 0.73 SMN1; SMN2 (0.39) TSHRL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6068854 0.73 SMN1; SMN2 (0.39) TSHRL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL28340761 0.72 CA12 (0.44) SMN1; SMN2ALDH1A1KMT2ANFE2L2HPGD
SCHEMBL5026209 0.70 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2ANFE2L2HTR1A
SCHEMBL6932141 0.70 TRPA1 (0.41) TSHRL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9109781 0.70 SMN1; SMN2 (0.46) TSHRL3MBTL1SMN1; SMN2ALDH1A1NFE2L2
SCHEMBL8425831 0.69 CYP1A2 (0.47) TSHRSMN1; SMN2ALDH1A1NFE2L2HTR1A
SCHEMBL7068243 0.69 KMT2A (0.41) TSHRSMN1; SMN2ALDH1A1KMT2A

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-1370547-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2003-12-17 EP disclosed
WO-2002081464-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2002-10-17 WO disclosed