SCHEMBL28869490

SCHEMBL28869490

CCCCCCCCCCCCC(C)CPCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
OPRM1 P35372 1/20 0.39
CA1 P00915 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
TRPM8 Q7Z2W7 4/20 0.34

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
SCHEMBL14155248 0.82 OPRM1 (0.42) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL11339877 0.79 DNM1 (0.38) ACE2OPRM1CA1LMNADNM1
SCHEMBL19178242 0.76 ACE2 (0.48) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL21086628 0.75 ACE2 (0.62) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL20506761 0.75 ACE2 (0.62) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL20506756 0.75 ACE2 (0.62) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL20835139 0.75 ACE2 (0.62) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL20506768 0.75 ACE2 (0.62) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL22129693 0.75 ACE2 (0.62) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL19971572 0.75 ACE2 (0.62) ACE2OPRM1SPHK1LMNADNM1

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-106892915-B Organic compound, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-22 CN disclosed