SCHEMBL8470624

SCHEMBL8470624

O=P(Oc1ccccc1)(Oc1ccccc1)OC1CCCC(O)(c2ccccc2)C1.OC1CCCC(O)(c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
HTR1A P08908 2/20 0.30
HSD11B1 P28845 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1B P35368 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL7852434 0.94 SRC (0.35) SRCOPRM1OPRL1HSD11B1ALDH1A1
SCHEMBL7858287 0.78 OPRM1 (0.43) OPRM1OPRL1ALDH1A1
SCHEMBL29273766 0.72 SRC (0.44) SRCALDH1A1
SCHEMBL28611135 0.72 SRC (0.44) SRCALDH1A1
SCHEMBL3472688 0.71 ALDH1A1 (0.42) SRCALDH1A1
Bromobenzene SCHEMBL8339717 0.71 OPRM1 (0.40) OPRM1OPRL1ALDH1A1
SCHEMBL3475395 0.69 SRC (0.47) SRC
SCHEMBL8339722 0.69 OPRM1 (0.36) OPRM1OPRL1ALDH1A1
SCHEMBL4458309 0.68 ALDH1A1 (0.42) SRCALDH1A1
SCHEMBL5087604 0.68 ALDH1A1 (0.52) OPRM1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951661-A4 1999-11-17 EP disclosed
EP-0951661-A1 PROCESS AND COMPOSITION FOR GENERATING ACID POLAROID CORPORATION (US) 1999-10-27 EP disclosed
WO-1998024000-A1 PROCESS AND COMPOSITION FOR GENERATING ACID POLAROID CORPORATION (US) 1998-06-04 WO disclosed