SCHEMBL29101786

SCHEMBL29101786

[CH2]CCC(CCC(CCCCC)OC(C)C)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
CA1 P00915 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
FAAH O00519 4/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 3/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL21722572 0.98 OPRM1 (0.37) OPRM1SPHK1FAAHLMNACNR1
SCHEMBL4661691 0.96 OPRM1 (0.38) OPRM1SPHK1FAAHLMNAADH1B
SCHEMBL28910560 0.96 OPRM1 (0.38) OPRM1SPHK1FAAHLMNAADH1B
SCHEMBL23671854 0.83 DNM1 (0.34) OPRM1SPHK1FAAHLMNAADH1B
SCHEMBL3022847 0.83 OPRM1 (0.41) OPRM1CA1SPHK1TP53LMNA
SCHEMBL9063918 0.80 OPRM1 (0.42) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL28571242 0.79 OPRM1 (0.34) OPRM1SPHK1LMNAADH1BADH1C
SCHEMBL5316573 0.78 OPRM1 (0.36) OPRM1LMNADNM1
SCHEMBL21722563 0.78
SCHEMBL29101801 0.78

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-B Dispersants for coating systems 巴斯夫欧洲公司 2023-10-27 CN disclosed