SCHEMBL24197392

SCHEMBL24197392

COc1ccc(-c2ccc(C#CCO)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.53
▸ NR2F2 P24468 1/20 0.52
▸ MCHR1 Q99705 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ESR2 Q92731 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP3 P08254 1/20 0.43

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
SCHEMBL6168268 0.94 APP (0.59) APPNR2F2MCHR1MEN1KMT2A
SCHEMBL26668462 0.84 HRH3 (0.44) APPNR2F2MCHR1MEN1KMT2A
SCHEMBL9672111 0.84 MMP2 (0.50) NR2F2L3MBTL1HRH3SMN1; SMN2MMP2
SCHEMBL28842576 0.83 MCHR1 (0.55) APPMCHR1ESR2NPC1TP53
SCHEMBL6248269 0.79 APP (0.55) APPMEN1KMT2AHRH3KCNH2
SCHEMBL26668449 0.79 MMP2 (0.48) HRH3MMP2MMP3MMP13
SCHEMBL17616892 0.78 MMP2 (0.46) NR2F2L3MBTL1HRH3SMN1; SMN2MMP2
SCHEMBL20607767 0.78 HRH3 (0.48) APPHRH3MMP2
SCHEMBL15014175 0.77 APP (0.88) APPMCHR1MEN1KMT2AESR2
SCHEMBL6446069 0.77 MMP2 (0.55) APPL3MBTL1HRH3SMN1; SMN2MMP2

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-2022011211-A1 DEOXYNOJIRIMYCIN DERIVATIVES AS GLUCOSIDASE INHIBITORS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2022-01-13 — — WO disclosed
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