SCHEMBL6547330

SCHEMBL6547330

COC1(c2ccccc2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35
OPRK1 P41145 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
OPRD1 P41143 1/20 0.35
HTR1A P08908 5/20 0.35
ADRA1D P25100 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
ADRA1B P35368 2/20 0.33
DRD3 P35462 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9694364 0.92 CYP1A2 (0.35) CYP1A2OPRM1OPRL1OPRK1CHRM2
SCHEMBL11616225 0.82 CYP1A2 (0.35) CYP1A2OPRM1OPRL1OPRK1CHRM2
SCHEMBL18555665 0.77 SIGMAR1 (0.37) OPRM1CHRM2CHRM4CHRM1CHRM3
SCHEMBL29106487 0.74 TSHR (0.34) CYP1A2HTR1AADRA1DMEN1KMT2A
SCHEMBL11375665 0.74 DPP4 (0.37) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL28151905 0.72 CHRM2 (0.36) CYP1A2OPRM1OPRL1OPRK1CHRM2
SCHEMBL31367105 0.71 HTR1A (0.43) CYP1A2OPRM1OPRL1OPRK1CHRM2
SCHEMBL6132327 0.71 OPRM1 (0.47) OPRM1OPRL1OPRK1OPRD1TSHR
SCHEMBL23532470 0.71 CHRNA1 (0.35) TSHRCHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL1664714 0.70 TSHR (0.47) CYP1A2OPRM1OPRL1OPRK1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0834525-B1 Ortho esters as bisphenol A scavenger in polycarbonate product GEN ELECTRIC (US) 2004-12-01 EP claimed
US-5807912-A PURIFICATION; HEATING GENERAL ELECTRIC COMPANY (US) 1998-09-15 US claimed
EP-0834525-A2 Ortho esters as bisphenol A scavenger in polycarbonate product GENERAL ELECTRIC COMPANY (US) 1998-04-08 EP claimed
EP-0834525-B1 Ortho esters as bisphenol A scavenger in polycarbonate product GEN ELECTRIC (US) 2004-12-01 EP disclosed
US-5807912-A PURIFICATION; HEATING GENERAL ELECTRIC COMPANY (US) 1998-09-15 US disclosed
EP-0834525-A2 Ortho esters as bisphenol A scavenger in polycarbonate product GENERAL ELECTRIC COMPANY (US) 1998-04-08 EP disclosed