SCHEMBL750091

SCHEMBL750091

CCCCC(O)C1COC(c2ccccc2)(C(O)c2ccccc2)O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 5/20 0.39
OPRL1 P41146 5/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NAAA Q02083 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL750051 0.96 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1NAAA
SCHEMBL749306 0.93 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL752202 0.88 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL751087 0.88 LMNA (0.36) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL751277 0.85 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1
SCHEMBL750086 0.84 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL747689 0.83 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL751250 0.81 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL751246 0.81 OPRL1 (0.33) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL748893 0.81 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152812-B1 DEGASSING COMPOSITIONS FOR CURABLE COATINGS TROY TECHNOLOGY CORP INC (US) 2012-03-21 EP claimed