SCHEMBL27225877

SCHEMBL27225877

O=C(O)CCCCCCCC=CCCCCCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.79
▸ RXFP1 Q9HBX9 1/20 0.79
▸ HDAC1 Q13547 2/20 0.67
▸ HDAC2 Q92769 2/20 0.67
▸ HDAC3 O15379 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ HDAC4 P56524 1/20 0.67
▸ SLC6A3 Q01959 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ HDAC7 Q8WUI4 1/20 0.67
▸ HDAC10 Q969S8 1/20 0.67
▸ HDAC11 Q96DB2 1/20 0.67
▸ HDAC8 Q9BY41 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.67
▸ HDAC9 Q9UKV0 1/20 0.67
▸ HDAC5 Q9UQL6 1/20 0.67
▸ TOP1 P11387 1/20 0.63
▸ TRPV1 Q8NER1 1/20 0.58
▸ KDM4A O75164 1/20 0.56

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
SCHEMBL9603179 1.00 MAPT (0.79) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL27225889 0.97 MAPT (0.73) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL6763471 0.95 MAPT (0.70) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL6763466 0.95 MAPT (0.70) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL7991496 0.91 TOP1 (0.65) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL28199729 0.91 MAPT (0.65) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL10533519 0.89 TOP1 (0.72) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL30536359 0.89 MAPT (0.63) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL2548842 0.89 MAPT (1.00) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL2552651 0.89 MAPT (1.00) MAPTRXFP1HDAC1HDAC2HDAC3

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-20240175141-A1 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. 2024-05-30 — — US disclosed
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