SCHEMBL16902846

SCHEMBL16902846

Oc1cccc(OC2CCCC(Oc3cccc(O)c3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
KCNH2 Q12809 1/20 0.52
POLB P06746 1/20 0.47
FURIN P09958 2/20 0.46
CHRNB4 P30926 6/20 0.44
CHRNA3 P32297 6/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRM3 P20309 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 5/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6063449 0.93 OPRM1 (0.51) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL2385609 0.89 POLB (0.54) OPRM1OPRK1KCNH2POLBCHRNB4
Water SCHEMBL27641336 0.87 POLB (0.53) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL2387108 0.87 POLB (0.57) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL16902847 0.85 OPRM1 (0.54) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL9986991 0.85 OPRM1 (0.54) OPRM1OPRK1KCNH2POLBCHRNB4
Resorcinol SCHEMBL5982627 0.81 POLB (0.48) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL12093129 0.81 OPRK1 (0.55) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL16902895 0.78 HRH1 (0.44) OPRM1OPRK1KCNH2FURINCHRNB4
SCHEMBL16902844 0.78 POLB (0.54) OPRM1OPRK1KCNH2POLBCHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed