SCHEMBL8582040

SCHEMBL8582040

CCc1cccc(C(C)C)c1NC(=S)N(CC)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ ABCC1 P33527 2/20 0.43
▸ SOAT1 P35610 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALDH2 P05091 1/20 0.40

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
SCHEMBL8609192 0.84 ALDH1A1 (0.50) HTTALOX15TDP1KMT2ASMN1; SMN2
SCHEMBL8689693 0.82 HTT (0.44) HTTSOAT1LMNAALOX15TSHR
SCHEMBL8526183 0.81 ABCC1 (0.54) ABCC1LMNAKMT2AALDH1A1ALDH2
SCHEMBL8526420 0.78 ALDH1A1 (0.49) ABCC1LMNAALOX15CYP2C19KMT2A
SCHEMBL8689690 0.75 NLRP3 (0.42) HTTSOAT1LMNAKMT2ASMN1; SMN2
SCHEMBL5538230 0.74 HTT (0.50) HTTSOAT1LMNATDP1KMT2A
SCHEMBL13925886 0.73 SMN1; SMN2 (0.53) HTTSOAT1LMNATDP1KMT2A
SCHEMBL8526136 0.73 GAA (0.47) HTTABCC1LMNAALDH1A1ALDH2
SCHEMBL25197276 0.72 HTT (0.62) HTTSOAT1LMNATDP1KMT2A
SCHEMBL5533057 0.72 SMN1; SMN2 (0.51) HTTLMNATDP1KMT2ASMN1; 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
EP-0885197-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 — — EP disclosed
US-5807864-A INCREASING HIGH DENSITY LIPOPROTEIN LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-15 — — US disclosed
WO-1997032855-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-12 — — WO disclosed
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