SCHEMBL27985642

SCHEMBL27985642

O=C(O)C1=CCCCC1SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
KMT2A Q03164 2/20 0.42
CTSK P43235 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
ACE P12821 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
F2 P00734 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
SCHEMBL27707112 0.84 EPHX2 (0.40) KMT2ASMN1; SMN2ALDH1A1HPGDEPHX2
SCHEMBL8830120 0.72 CYP2C19 (0.35) CRBNCTSKSMN1; SMN2ACECYP2C19
SCHEMBL18230612 0.70 CHRNB2 (0.33) ALDH1A1
SCHEMBL27727847 0.70 TSHR (0.41) SMN1; SMN2USP2ALDH1A1HPGD
SCHEMBL6211265 0.69 CRBN (0.55) DDB1CRBNKMT2ACTSKSMN1; SMN2
SCHEMBL11352009 0.67 CRBN (0.49) DDB1CRBNKMT2ACTSKSMN1; SMN2
SCHEMBL7329376 0.65 CTSK (0.64) DDB1CRBNKMT2ACTSKSMN1; SMN2
SCHEMBL24411157 0.64 GAA (0.32) ALDH1A1
SCHEMBL6209126 0.64 KMT2A (0.61) DDB1CRBNKMT2ACTSKSMN1; SMN2
SCHEMBL15271479 0.64 KMT2A (0.56) DDB1CRBNKMT2ACTSKSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101212986-B Stable emulsified composition TAKEDA PHARMACEUTICAL 2015-01-14 CN disclosed