SCHEMBL28459355

SCHEMBL28459355

CC(=O)OC(C)C(S)OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ GALR3 O60755 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 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
SCHEMBL10239103 0.80 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9720211 0.80 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17751390 0.80 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL29404463 0.76 — —
SCHEMBL5913624 0.75 — —
SCHEMBL632271 0.75 — —
SCHEMBL13244792 0.75 — —
SCHEMBL8354344 0.75 — —
SCHEMBL19193 0.74 — —
SCHEMBL21064874 0.74 TSHR (1.00) TSHRCHRM2CHRM4CHRM1TBXA2R

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-107043404-B Novel phosphine gold complex and anti-tumor application thereof 中山大学肿瘤防治中心 2020-08-11 — — CN disclosed
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