SCHEMBL9852460

SCHEMBL9852460

CCCCCCCCCCC1(O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRL1 P41146 3/20 0.39
MMP2 P08253 5/20 0.36
MMP9 P14780 5/20 0.36
MMP3 P08254 1/20 0.34
CSNK1E P49674 1/20 0.34
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
HTT P42858 1/20 0.33
SOAT1 P35610 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28596887 0.94 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL28591044 0.88 KDM1A (0.37)
SCHEMBL28984993 0.82 MMP2 (0.36) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL10429706 0.81 RARB (0.35) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL11413126 0.81 FFAR1 (0.37) HTTTDP1
SCHEMBL28419457 0.81 MMP2 (0.36) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL8780391 0.81 MMP2 (0.36) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL10346700 0.81 MMP2 (0.36) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL9746020 0.80 MMP2 (0.37) OPRM1OPRD1OPRK1OPRL1MMP2
SCHEMBL4183422 0.80 MMP2 (0.37) OPRM1OPRD1OPRK1OPRL1MMP2

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-0422996-A2 Liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-04-17 EP disclosed