SCHEMBL11228871

SCHEMBL11228871

CCCCCCCCCCCC(C)c1ccc(C(Cl)Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.39
NR1I2 O75469 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
SPHK1 Q9NYA1 1/20 0.34
EPHX1 P07099 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CSNK1E P49674 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
SCHEMBL6684351 0.90 SLC2A1 (0.44) SLC2A1NR1I2GPR84OPRM1SPHK1
SCHEMBL9137197 0.90 SLC2A1 (0.44) SLC2A1NR1I2GPR84OPRM1SPHK1
SCHEMBL6678858 0.88 OPRM1 (0.44) SLC2A1NR1I2GPR84OPRM1SPHK1
SCHEMBL6684287 0.85 SLC6A2 (0.46) SLC2A1SLC6A2SLC6A4SLC6A3
SCHEMBL9137103 0.84 EPHX1 (0.45) SLC2A1NR1I2GPR84OPRM1SPHK1
SCHEMBL16669127 0.84 EPHX1 (0.45) SLC2A1NR1I2GPR84OPRM1SPHK1
SCHEMBL10711259 0.82 HTT (0.42) SLC2A1NR1I2GPR84OPRM1SPHK1
SCHEMBL11516610 0.82 HTT (0.42) SLC2A1NR1I2GPR84OPRM1SPHK1
SCHEMBL6686877 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL6679845 0.82 HTT (0.42) SLC2A1NR1I2GPR84OPRM1SPHK1

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-4317934-A Preparation of carbonyl compounds ETHYL CORPORATION (US) 1982-03-02 US disclosed