SCHEMBL20544016

SCHEMBL20544016

C#CN(CCCCC)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.43
TSHR P16473 1/20 0.37
THRB P10828 1/20 0.37
MGLL Q99685 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
GBA1 P04062 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8520421 0.97 DNM1 (0.48) DNM1TSHRTHRBMGLLCA12
SCHEMBL1583514 0.92 CA12 (0.34) DNM1TSHRTHRBCA12CA1
SCHEMBL27576568 0.90 DNM1 (0.40) DNM1TSHRTHRBMGLLCA12
SCHEMBL1582829 0.79
SCHEMBL27769660 0.76
SCHEMBL20658191 0.74 DNM1 (0.52) DNM1TSHRTHRBMGLLCA12
SCHEMBL14679618 0.74 DNM1 (0.52) DNM1TSHRTHRBMGLLCA12
SCHEMBL3299577 0.72 DNM1 (0.43) DNM1TSHRTHRBMGLLCA12
SCHEMBL1794786 0.72 DNM1 (0.43) DNM1TSHRTHRBMGLLCA12
SCHEMBL97180 0.72 DNM1 (0.43) DNM1TSHRTHRBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144355-B1 PIGMENTED PAINT FORMULATION WITH A PHOSPHORUS ACID FUNCTIONALIZED LATEX BINDER AND AN ASSOCIATIVE THICKENER ROHM & HAAS (US) 2020-04-29 EP claimed
EP-3144354-B1 PIGMENTED PAINT FORMULATION WITH A PHOSPHORUS ACID FUNCTIONALIZED LATEX BINDER AND AN ASSOCIATIVE THICKENER ROHM & HAAS (US) 2018-10-31 EP claimed