SCHEMBL11219830

SCHEMBL11219830

C=CC(C)(O)C#Cc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ APP P05067 4/20 0.40
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ ESR1 P03372 4/20 0.34
▸ ESR2 Q92731 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ AR P10275 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ESRRG P62508 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 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
SCHEMBL10898918 0.83 MAPT (0.62) MAPTAPPCYP3A4ASIC3
SCHEMBL12711667 0.78 APP (0.47) MAPTAPPESR1ESR2CYP3A4
SCHEMBL4379793 0.76 APP (0.48) MAPTAPPHIF1AESR1ESR2
SCHEMBL12711693 0.73 MMP3 (0.47) MAPTAPPESR1ESR2CYP3A4
SCHEMBL12391039 0.68 ASIC3 (0.50) MAPTLMNATSHRKMT2AATM
SCHEMBL7035142 0.67 APP (0.48) MAPTAPPHIF1AESR1ESR2
SCHEMBL27722306 0.67 APP (0.48) MAPTAPPHIF1AESR1ESR2
SCHEMBL14400750 0.67 APP (0.74) MAPTAPPHIF1AESR1ESR2
SCHEMBL673609 0.67 APP (0.74) MAPTAPPHIF1AESR1ESR2
SCHEMBL11337910 0.67 GRM5 (0.37) MAPTCYP3A4KMT2AALDH1A1

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-4322432-A Cyclopropanecarboxylic acid alkynyl esters, processes for producing them, and their use as pesticides CIBA-GEIGY CORPORATION (US) 1982-03-30 — — US disclosed
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