SCHEMBL6765730

SCHEMBL6765730

CCCCCCC(C)c1[c]cc[c]c1C(C)CCCCCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
SPHK1 Q9NYA1 1/20 0.36
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.35
DNM1 Q05193 2/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.33
NR1I2 O75469 1/20 0.33
THRB P10828 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL11503600 0.73 OPRM1 (0.33) OPRM1GPR84
SCHEMBL10746726 0.72 SLC2A1 (0.36) OPRM1GPR84SPHK1LMNADNM1
SCHEMBL5265204 0.72 SLC2A1 (0.36) OPRM1GPR84SPHK1LMNADNM1
SCHEMBL980142 0.72 CSNK1E (0.36) OPRM1GPR84SPHK1LMNAADH1B
SCHEMBL3223557 0.72 CSNK1E (0.36) OPRM1GPR84SPHK1LMNAADH1B
SCHEMBL982032 0.72 CSNK1E (0.36) OPRM1GPR84SPHK1LMNAADH1B
SCHEMBL983089 0.72 CSNK1E (0.36) OPRM1GPR84SPHK1LMNAADH1B
SCHEMBL984970 0.72 CSNK1E (0.36) OPRM1GPR84SPHK1LMNAADH1B
SCHEMBL984974 0.72 CSNK1E (0.36) OPRM1GPR84SPHK1LMNAADH1B
SCHEMBL9137197 0.71 SLC2A1 (0.44) 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
US-20040087712-A1 Method and colorant for the coloring of rubber RAJARAMAN HARIHARAN (US) 2004-05-06 US claimed