SCHEMBL9444501

SCHEMBL9444501

CNC(=O)C=Cc1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.65
▸ LMNA P02545 1/20 0.65
▸ NFKB1 P19838 2/20 0.63
▸ JUN P05412 1/20 0.63
▸ NFE2L2 Q16236 1/20 0.63
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA4 P22748 1/20 0.61
▸ BCHE P06276 1/20 0.56
▸ GUSB P08236 1/20 0.56
▸ PELI1 Q96FA3 3/20 0.55
▸ CHRNA7 P36544 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALPL P05186 1/20 0.49

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
SCHEMBL1562801 1.00 MAPT (0.65) MAPTLMNANFKB1JUNNFE2L2
SCHEMBL17305570 1.00 MAPT (0.65) MAPTLMNANFKB1JUNNFE2L2
SCHEMBL14244199 0.83 HDAC8 (0.66) MAPTLMNANFKB1JUNNFE2L2
SCHEMBL12426301 0.83 HDAC8 (0.66) MAPTLMNANFKB1JUNNFE2L2
SCHEMBL17151526 0.81 MMP1 (0.46) MAPTLMNAPELI1KDM4ENPC1
SCHEMBL12425714 0.81 NFKB1 (0.63) MAPTLMNANFKB1JUNNFE2L2
SCHEMBL29412622 0.81 NFKB1 (0.63) MAPTLMNANFKB1JUNNFE2L2
SCHEMBL4254014 0.81 NFKB1 (0.63) MAPTLMNANFKB1JUNNFE2L2
Leucine SCHEMBL10491460 0.81 NFKB1 (0.46) MAPTLMNANFKB1JUNNFE2L2
SCHEMBL18310156 0.81 EGFR (0.63) MAPTLMNANFKB1JUNNFE2L2

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
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 — — US disclosed
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