SCHEMBL24072015

SCHEMBL24072015

CCCCCCC(C)SCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
GPR84 Q9NQS5 3/20 0.41
SPHK1 Q9NYA1 1/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
FDPS P14324 3/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL30626940 0.97 OPRM1 (0.46) OPRM1GPR84SPHK1FFAR1LMNA
SCHEMBL16899400 0.90
SCHEMBL10643424 0.83 EPHX1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL28101186 0.83 EPHX1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL11169734 0.81 OPRM1 (0.41) OPRM1GPR84SPHK1FFAR1LMNA
SCHEMBL28321751 0.81 OPRM1 (0.41) OPRM1GPR84SPHK1FFAR1LMNA
SCHEMBL13907466 0.79
SCHEMBL17830301 0.79 OPRM1 (0.39) OPRM1GPR84SPHK1LMNADNM1
SCHEMBL7628846 0.79 OPRM1 (0.48) OPRM1GPR84SPHK1LMNADNM1
SCHEMBL1598636 0.79 OPRM1 (0.48) OPRM1GPR84SPHK1LMNADNM1

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
WO-2021237664-A1 ELECTROLYTE SOLUTION, AND ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE COMPRISING ELECTROLYTE SOLUTION 宁德新能源科技有限公司 2021-12-02 WO disclosed