SCHEMBL30801441

SCHEMBL30801441

CCCCCCCCCC(C(=O)OC)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 9/20 0.44
EPHX2 P34913 2/20 0.44
NAAA Q02083 2/20 0.43
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL38665252 0.98 ZDHHC7 (0.51) ZDHHC7TSHREPHX1EPHX2NAAA
SCHEMBL4955886 0.94 CA1 (0.47) ZDHHC7TSHREPHX1EPHX2TP53
SCHEMBL30801437 0.92 ZDHHC7 (0.54) ZDHHC7TSHRCA1CA2
SCHEMBL9644387 0.90 ZDHHC7 (0.51) ZDHHC7TSHRCA1CA2
SCHEMBL11576811 0.89 TSHR (0.48) ZDHHC7TSHREPHX1EPHX2NAAA
SCHEMBL8084596 0.88 TSHR (0.57) ZDHHC7TSHREPHX1EPHX2NAAA
SCHEMBL3908306 0.87 SMN1; SMN2 (0.42) TSHREPHX1TP53ALDH1A1KMT2A
SCHEMBL26828326 0.85 THRB (0.40) ZDHHC7TSHREPHX1TP53ALDH1A1
SCHEMBL28860013 0.85 ZDHHC7 (0.47) ZDHHC7TSHREPHX1CA1CA2
SCHEMBL9491679 0.83 NAAA (0.53) TSHREPHX1EPHX2NAAAALDH1A1

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