SCHEMBL9273623

SCHEMBL9273623

CCCCCCOC(N)C(C)CC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.48
OPRM1 P35372 1/20 0.38
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA9 Q16790 7/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL28943089 0.86 DNM1 (0.47) DNM1OPRM1CA1CA2CA9
SCHEMBL16553558 0.81 DNM1 (0.50) DNM1OPRM1CA1CA2CA9
SCHEMBL136729 0.81 DNM1 (0.50) DNM1OPRM1CA1CA2CA9
SCHEMBL31115897 0.79 DNM1 (0.48) DNM1CA1CA2CA9CA12
SCHEMBL27795023 0.79 DNM1 (0.48) DNM1OPRM1SPHK1HTT
SCHEMBL27578847 0.79 DNM1 (0.48) DNM1OPRM1SPHK1HTT
SCHEMBL11300461 0.78 DNM1 (0.56) DNM1OPRM1CA1CA2CA9
SCHEMBL11057692 0.78 DNM1 (0.56) DNM1OPRM1CA1CA2CA9
SCHEMBL3028563 0.78 DNM1 (0.56) DNM1OPRM1CA1CA2CA9
SCHEMBL11299851 0.78 DNM1 (0.56) DNM1OPRM1CA1CA2CA9

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
JP-60038495-A None JP disclosed
US-5459204-A Epoxy resin curing agents HUELS AKTIENGESELLSCHAFT (DE) 1995-10-17 US disclosed
US-5215956-A A sheet of paper is printed with inks containing dyes which changing from invisible colorless to visible multicolor by applying a color former; discoloration inhibition KAWASHIMA KIYOHARU (JP) 1993-06-01 US disclosed
JP-S6038495-A WATER-SOLUBLE CUTTING OIL YUSHIRO DO BRAZIL IND CHEM LTD 1985-02-28 JP disclosed
JP-S0638495-A 0001-01-01 JP disclosed