SCHEMBL13964720

SCHEMBL13964720

C=C(CS)NCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 11/20 0.50
▸ ZDHHC20 Q5W0Z9 1/20 0.47
▸ ZDHHC2 Q9UIJ5 1/20 0.47
▸ CASP2 P42575 1/20 0.45
▸ NAAA Q02083 3/20 0.42
▸ FAAH O00519 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PLA2G2A P14555 1/20 0.38

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
SCHEMBL25971770 0.82 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL24133452 0.82 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL26192818 0.82 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL26750525 0.82 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL13906604 0.81 — —
SCHEMBL24982530 0.80 CASP2 (0.57) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL21527587 0.80 EPHX1 (0.52) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL24041036 0.80 EPHX1 (0.52) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL22838207 0.80 CASP2 (0.57) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL21637004 0.80 EPHX1 (0.52) EPHX1ZDHHC20ZDHHC2CASP2NAAA

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
EP-2017287-A2 Method of producing hydroxyalkyl starch derivatives Fresenius Kabi Deutschland GmbH (DE) 2009-01-21 — — EP disclosed
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