SCHEMBL28199266

SCHEMBL28199266

C=C(NCCCCCCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.59
ZDHHC20 Q5W0Z9 1/20 0.55
ZDHHC2 Q9UIJ5 1/20 0.55
CASP2 P42575 1/20 0.53
NAAA Q02083 2/20 0.50
PLA2G2A P14555 1/20 0.49
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL3278820 1.00 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL3277865 1.00 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL3278553 1.00 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL8931322 1.00 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL1462191 0.98 EPHX1 (0.56) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL3283012 0.91 EPHX1 (0.50) EPHX1ZDHHC20ZDHHC2CASP2ALDH1A1
SCHEMBL3279311 0.82
SCHEMBL27838835 0.82 EPHX1 (0.57) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL29090036 0.80 EPHX1 (0.55) EPHX1ZDHHC20ZDHHC2CASP2NAAA
Acetic Acid SCHEMBL28270143 0.80 EPHX1 (0.55) 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
CN-104927823-B Dianionic surfactant oil displacement agent and its preparation method and application 唐山冀油瑞丰化工有限公司 2018-01-26 CN disclosed