SCHEMBL29845414

SCHEMBL29845414

COc1cc(OC)c(CSP(=O)(c2ccccc2)c2ccccc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL986968 0.77 HTT (0.59) PTPN1HTTL3MBTL1TAS2R14KMT2A
SCHEMBL23494962 0.71 KMT2A (0.47) PTPN1HTTL3MBTL1HSD17B10MAPT
SCHEMBL28682326 0.70 HTT (0.41) HTTL3MBTL1MAPTKMT2AMEN1
SCHEMBL2876753 0.69 ALDH1A1 (0.43) PTPN1MAPTCA1CA2ALDH1A1
SCHEMBL28467401 0.68 MAPT (0.53) HTTHSD17B10MAPTKMT2AMEN1
SCHEMBL24709121 0.68 NOS3 (0.43) PTPN1CA1CA2ALDH1A1CYP1A2
SCHEMBL2965027 0.68 ALDH1A1 (0.42) PTPN1CA1CA2ALDH1A1CYP1A2
SCHEMBL458609 0.68 KMT2A (0.50) PTPN1HTTL3MBTL1HSD17B10MAPT
SCHEMBL18029929 0.67 LTA4H (0.57) PTPN1HSD17B10TAS2R14CA1CA2
SCHEMBL76825 0.67 KMT2A (0.47) PTPN1HTTL3MBTL1HSD17B10MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112421256-B Wire harness 株式会社自动网络技术研究所 2022-10-28 — — CN disclosed
CN-112421255-B Wire harness 株式会社自动网络技术研究所 2022-09-09 — — CN disclosed
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