SCHEMBL16902844

SCHEMBL16902844

Oc1cccc(OC2CCCCC2Oc2cccc(O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CHRNB4 P30926 6/20 0.46
CHRNA3 P32297 6/20 0.46
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 2/20 0.43
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40

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
SCHEMBL2385609 0.85 POLB (0.54) POLBCHRNB4CHRNA3CHRNB2CHRNA4
Water SCHEMBL27641336 0.83 POLB (0.53) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2387108 0.83 POLB (0.57) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6063449 0.81 OPRM1 (0.51) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9986991 0.80 OPRM1 (0.54) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL16902847 0.80 OPRM1 (0.54) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL16902846 0.78 OPRM1 (0.52) POLBCHRNB4CHRNA3CHRNB2CHRNA4
Resorcinol SCHEMBL5982627 0.78 POLB (0.48) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL11449745 0.77 CHRNB4 (0.45) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20022639 0.77 NPY1R (0.56) POLBALDH1A1NPY1RNPY2RNPY4R

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