SCHEMBL28577468

SCHEMBL28577468

[CH2]C(OC(C)C)C(CCCCCCCCC)OC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
LMNA P02545 3/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
DNM1 Q05193 2/20 0.31
PTPN1 P18031 1/20 0.31
SMPD1 P17405 3/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL21722464 1.00 OPRM1 (0.34) OPRM1ZDHHC7SPHK1LMNAADH1B
SCHEMBL21722534 1.00 OPRM1 (0.34) OPRM1ZDHHC7SPHK1LMNAADH1B
SCHEMBL21722613 0.98 OPRM1 (0.35) OPRM1ZDHHC7SPHK1
SCHEMBL21722618 0.92
SCHEMBL29101790 0.92 OPRM1 (0.37) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL29101796 0.92 OPRM1 (0.37) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL21722519 0.92 OPRM1 (0.37) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL23671907 0.91 FAAH (0.37)
SCHEMBL23671909 0.91 FAAH (0.37)
SCHEMBL21722706 0.90 OPRM1 (0.38) OPRM1SPHK1LMNAADH1BADH1C

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-112867751-A Dispersants for coating systems 巴斯夫欧洲公司 2021-05-28 CN disclosed