SCHEMBL11450445

SCHEMBL11450445

CCCOC1CC(OC)CC1N(C(=O)CCOC)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ OPRM1 P35372 4/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA5A P35218 2/20 0.31
▸ CA7 P43166 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA13 Q8N1Q1 2/20 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
SCHEMBL11454736 0.83 LTB4R2 (0.38) TP53LTB4R2OPRM1PTGDR2SMN1; SMN2
SCHEMBL11571012 0.78 LTB4R2 (0.41) LTB4R2OPRM1OPRD1OPRK1TSHR
SCHEMBL11572452 0.77 LTB4R2 (0.34) LTB4R2SMN1; SMN2TSHRSIGMAR1
SCHEMBL11341302 0.76 ALDH1A1 (0.38) LTB4R2OPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL11330424 0.73 SLC18A3 (0.43) LTB4R2OPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL11450446 0.72 POLB (0.45) OPRM1TSHRMAPTSIGMAR1
SCHEMBL11346998 0.72 KDM4E (0.34) LTB4R2OPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL11465401 0.71 ALDH1A1 (0.43) LTB4R2OPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL11437590 0.71 MEN1 (0.43) LTB4R2OPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL11350705 0.70 ALDH1A1 (0.45) LTB4R2OPRM1SMN1; SMN2SIGMAR1

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
US-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
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