SCHEMBL8178693

SCHEMBL8178693

COc1ccc(C23CCC(O)(CC2)CC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOB P27338 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 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
SCHEMBL22348193 0.79 OPRM1 (0.41) OPRM1OPRL1CA12CA1CA2
Hydrochloric Acid SCHEMBL22027299 0.78 PNMT (0.53) OPRM1OPRL1CA12CA1CA2
SCHEMBL22027277 0.78 DGAT1 (0.46) OPRM1OPRL1CA1CA2LMNA
SCHEMBL21805979 0.77 ATM (0.44) CA1CA2ALDH1A1LMNAKMT2A
SCHEMBL18043699 0.76 CA1 (0.55) OPRM1OPRL1CA12CA1CA2
SCHEMBL22083808 0.76 ALDH1A1 (0.42) OPRM1OPRL1CA12CA1CA2
SCHEMBL22027167 0.74 PLK1 (0.45) CA1CA2SLC6A4SLC6A3ALDH1A1
SCHEMBL10319703 0.73 OPRM1 (0.55) OPRM1OPRL1CA12CA1CA2
SCHEMBL12317609 0.73 OPRM1 (0.55) OPRM1OPRL1CA12CA1CA2
SCHEMBL21874209 0.72 SLC6A4 (0.54) OPRM1OPRL1OPRD1OPRK1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776354-B1 LIQUID-CRYSTALLINE POLYETHERS AKZO NOBEL NV (NL) 2000-01-12 EP disclosed
EP-0776354-A1 LIQUID-CRYSTALLINE POLYETHERS Akzo Nobel N.V. (NL) 1997-06-04 EP disclosed
EP-0772662-A1 LIQUID-CRYSTALLINE GLASSES Akzo Nobel N.V. (NL) 1997-05-14 EP disclosed
WO-1996006145-A1 LIQUID-CRYSTALLINE POLYETHERS AKZO NOBEL N.V. (NL) 1996-02-29 WO disclosed
WO-1996003476-A1 LIQUID-CRYSTALLINE GLASSES AKZO NOBEL N.V. (NL) 1996-02-08 WO disclosed