SCHEMBL6863376

SCHEMBL6863376

CC(C)CCCCCCCc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
SLC18A2 Q05940 1/20 0.44
NQO2 P16083 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
ESR1 P03372 3/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7422762 1.00 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL11709614 1.00 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL2845252 0.85 ESR1 (0.50) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL7687298 0.85 SIGMAR1 (0.48) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
Ammonia Solution, Strong SCHEMBL11816347 0.84 ESR1 (0.49) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL7632660 0.83 HIF1A (0.43)
SCHEMBL30899680 0.83 HIF1A (0.43)
SCHEMBL9800436 0.83 CYP1A2 (0.58) SIGMAR1CYP1A2CYP2C19CYP2D6NQO2
SCHEMBL6681464 0.83 SIGMAR1 (0.44) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL17288559 0.83 SIGMAR1 (0.44) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646314-B1 Sustained release pesticidal or plant growth regulating composition SUMITOMO CHEMICAL CO (JP) 2004-08-11 EP disclosed
US-5977023-A USING AQUEOUS SALT SOLUTION TO PRECIPITATE ALGINATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-02 US disclosed
EP-0646314-A1 Sustained release pesticidal or plant growth regulating composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-05 EP disclosed