SCHEMBL30801437

SCHEMBL30801437

CCCCCCCCCCCCCCCC(C(=O)OC)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.54
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ABCB1 P08183 1/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
BIRC2 Q13490 4/20 0.41
TSHR P16473 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL9644387 0.98 ZDHHC7 (0.51) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL38665252 0.93 ZDHHC7 (0.51) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL30801441 0.92 ZDHHC7 (0.50) ZDHHC7CA1CA2TSHR
SCHEMBL28860013 0.89 ZDHHC7 (0.47) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL774185 0.86 ZDHHC7 (0.39) ZDHHC7CA1CA2LCKPPARD
SCHEMBL15287645 0.85 NAAA (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL30304082 0.85 NAAA (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL30304015 0.85 NAAA (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL4955886 0.85 CA1 (0.47) ZDHHC7CA1CA2TSHR
SCHEMBL28636423 0.81 THRB (0.48) ZDHHC7CA1CA2ABCB1USP2

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-20240084343-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI INC (US) 2024-03-14 US disclosed