SCHEMBL8661344

SCHEMBL8661344

C=Cc1ccc(C(CCCCCCCCCCCCCCCC)C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC7 Q9NXF8 1/20 0.44
▸ TAS1R3 Q7RTX0 3/20 0.44
▸ TAS1R1 Q7RTX1 3/20 0.44
▸ ABCB1 P08183 1/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL8659505 0.85 ZDHHC7 (0.47) ZDHHC7ABCB1ESR1ESR2POLB
SCHEMBL8661336 0.85 LMNA (0.45) TAS1R3TAS1R1POLBLMNAMMP9
SCHEMBL11346880 0.85 LMNA (0.45) TAS1R3TAS1R1POLBLMNAMMP9
SCHEMBL9823779 0.83 TAS1R3 (0.48) TAS1R3TAS1R1ESR1ESR2POLB
SCHEMBL8661407 0.82 CA2 (0.44) TAS1R3TAS1R1LMNAMMP9MMP8
SCHEMBL11871964 0.82 CA2 (0.44) TAS1R3TAS1R1LMNAMMP9MMP8
SCHEMBL11859008 0.82 ZDHHC7 (0.47) ZDHHC7ESR1ESR2POLBLMNA
SCHEMBL11857063 0.82 ZDHHC7 (0.47) ZDHHC7ESR1ESR2POLBLMNA
SCHEMBL9000934 0.82 ZDHHC7 (0.47) ZDHHC7ESR1ESR2POLBLMNA
SCHEMBL11847688 0.82 L3MBTL1 (0.53) ZDHHC7ESR1ESR2POLBNPC1

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-5849215-A Highly ordered nanocomposites via a monomer self-assembly in situ condensation approach THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-15 — — US disclosed
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