SCHEMBL16902847

SCHEMBL16902847

Oc1cccc(OC2CCC(Oc3cccc(O)c3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
KCNH2 Q12809 1/20 0.54
CHRNB4 P30926 6/20 0.49
CHRNA3 P32297 6/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 2/20 0.46
CHRM3 P20309 2/20 0.45
CA12 O43570 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
HRH1 P35367 1/20 0.42

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
SCHEMBL9986991 1.00 OPRM1 (0.54) OPRM1OPRK1KCNH2CHRNB4CHRNA3
SCHEMBL6063449 0.92 OPRM1 (0.51) OPRM1OPRK1KCNH2CHRNB4CHRNA3
SCHEMBL2385609 0.92 POLB (0.54) OPRM1OPRK1KCNH2CHRNB4CHRNA3
SCHEMBL12760850 0.91 OPRM1 (0.48) OPRM1OPRK1KCNH2CHRNB4CHRNA3
Water SCHEMBL27641336 0.90 POLB (0.53) OPRM1OPRK1KCNH2CHRNB4CHRNA3
SCHEMBL2387108 0.90 POLB (0.57) OPRM1OPRK1KCNH2CHRNB4CHRNA3
SCHEMBL13806374 0.87 HRH1 (0.62) OPRM1OPRK1KCNH2CHRNB4CHRNA3
SCHEMBL12760873 0.87 OPRK1 (0.48) OPRM1OPRK1KCNH2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL6490968 0.86 HRH1 (0.61) OPRM1OPRK1KCNH2CHRNB4CHRNA3
SCHEMBL16902846 0.85 OPRM1 (0.52) OPRM1OPRK1KCNH2CHRNB4CHRNA3

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