SCHEMBL22395511

SCHEMBL22395511

CCO[Si](CCCSC(=O)N(Cc1ccco1)[Si](C)(C)C)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL20982062 0.88 POLB (0.34) POLBTRPM8RIPK1MAPTALDH1A1
SCHEMBL20982032 0.82 POLB (0.41) POLBTRPM8RIPK1MAPTALDH1A1
SCHEMBL20982035 0.76 POLB (0.36) POLBTRPM8MAPTALDH1A1LMNA
SCHEMBL20982052 0.73 POLB (0.41) POLBTRPM8RIPK1MAPTALDH1A1
SCHEMBL20982057 0.73 POLB (0.41) POLBTRPM8RIPK1MAPTALDH1A1
SCHEMBL10178968 0.71 ALDH1A1 (0.45) POLBMAPTALDH1A1HSD17B10TP53
SCHEMBL25370911 0.71 ALDH1A1 (0.42) POLBMAPTALDH1A1HSD17B10TP53
SCHEMBL20982044 0.70 MAPT (0.43) POLBALOX5MAPTALDH1A1TP53
SCHEMBL29426616 0.69 EPHX2 (0.45) POLBMAPTALDH1A1HSD17B10TP53
SCHEMBL15299523 0.69 CHRNB2 (0.40) ALDH1A1

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
EP-3486279-B1 MODIFIER, METHOD FOR PREPARING SAME, AND MODIFIED CONJUGATED DIENE-BASED POLYMER COMPRISING SAME LG CHEMICAL LTD (KR) 2020-09-09 — — EP disclosed
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