SCHEMBL24790646

SCHEMBL24790646

O=C(O)c1cc(Oc2ccc3c(c2)C(=O)OC3=O)ccc1C(=O)S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ CA2 P00918 2/20 0.46
▸ TYMS P04818 1/20 0.42
▸ CA12 O43570 5/20 0.41
▸ CA7 P43166 5/20 0.41
▸ CA1 P00915 4/20 0.41
▸ CA4 P22748 2/20 0.41
▸ HPSE Q9Y251 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PYGL P06737 1/20 0.39
▸ PYGM P11217 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GALK1 P51570 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PLEC Q15149 1/20 0.38

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
SCHEMBL29126596 0.91 POLB (0.55) POLBCA2TYMSCA12CA7
SCHEMBL17961006 0.90 POLB (0.57) POLBCA2TYMSCA12CA7
SCHEMBL10514322 0.84 POLB (0.51) POLBCA2TYMSCA12CA7
SCHEMBL19427482 0.81 POLB (0.48) POLBCA2TYMSCA12CA7
SCHEMBL12164207 0.80 CA2 (0.46) POLBCA2TYMSCA12CA7
SCHEMBL13060363 0.80 CA2 (0.43) POLBCA2TYMSCA12CA7
SCHEMBL4449454 0.79 CA2 (0.43) POLBCA2TYMSCA12CA7
SCHEMBL42261 0.78 MAOA (0.53) POLBMAOAMAOBALDH1A1TDP1
SCHEMBL30950420 0.78 MAOA (0.53) POLBMAOAMAOBALDH1A1TDP1
SCHEMBL9008360 0.78 SRD5A2 (0.53) POLBCA2CA12CA7CA1

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
WO-2022263562-A1 FUNCTIONALIZED Q-D/T-SILOXANE-BASED POLYMERIC MATERIALS AND FORMULATIONS AND METHOD FOR PREPARING SAME SILOXENE AG (CH) 2022-12-22 — — WO disclosed
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