SCHEMBL10684366

SCHEMBL10684366

O=CCCCCCCCCCCCCCCCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
CYP1A2 P05177 1/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM4A O75164 1/20 0.40
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
HIF1A Q16665 1/20 0.38
NAAA Q02083 2/20 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
SCHEMBL14607493 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL7348016 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL2178636 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL98104 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL8814716 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
Water SCHEMBL28376340 0.98 SIGMAR1 (0.52) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL97095 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL11102125 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL7350454 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL11151075 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A

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-4743409-A INJECTION MOLDING POLYVINYL ACETAL RESINS SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-05-10 US claimed