SCHEMBL8213474

SCHEMBL8213474

CCCCCCC(C)OOC(C)(C)CC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
OPRM1 P35372 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
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
CA2 P00918 1/20 0.32
DNM1 Q05193 1/20 0.32
SMPD1 P17405 3/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL1116716 0.84 FAAH (0.39) FAAHCNR1CNR2OPRM1SPHK1
SCHEMBL7965898 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4811228 0.82 OPRM1 (0.39) FAAHCNR1CNR2OPRM1SPHK1
SCHEMBL17824523 0.80 SMPD1 (0.37) OPRM1LMNAALDH1A1CA2DNM1
SCHEMBL16930985 0.79 OPRM1 (0.48) FAAHCNR1CNR2OPRM1SPHK1
SCHEMBL30450150 0.79 OPRM1 (0.48) FAAHCNR1CNR2OPRM1SPHK1
SCHEMBL9844635 0.79 OPRM1 (0.48) FAAHCNR1CNR2OPRM1SPHK1
SCHEMBL7801052 0.77 OPRM1 (0.31) OPRM1ALDH1A1
SCHEMBL8039293 0.76 OPRM1 (0.50) FAAHCNR1CNR2OPRM1SPHK1
SCHEMBL987910 0.75 CTSK (0.33) FAAHOPRM1CA2DNM1

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-6020385-A Process for the preparation of microencapsulated polymers BAYER AKTIENGESELLSCHAFT (DE) 2000-02-01 US disclosed