SCHEMBL23398987

SCHEMBL23398987

CCCCn1nc(CCC)c(CC)c1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
ESR1 P03372 2/20 0.32
NR1H3 Q13133 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL23401523 0.93 USP2 (0.33) USP2ESR1NR1H3MEN1CYP1A2
SCHEMBL23402569 0.93 USP2 (0.35) USP2ESR1NR1H3KMT2A
SCHEMBL23401345 0.91 HPGD (0.35) USP2ESR1NR1H3MEN1MAPT
SCHEMBL23400647 0.89 USP2 (0.40) USP2
SCHEMBL23401386 0.89 MPO (0.34) ESR1NR1H3MEN1CYP1A2MAPT
SCHEMBL23400694 0.88 MPO (0.33) USP2ESR1NR1H3KMT2A
SCHEMBL23398970 0.88 ESR1 (0.33) USP2ESR1NR1H3KMT2A
SCHEMBL23399990 0.86 USP2 (0.33) USP2
SCHEMBL23402468 0.86 HPGD (0.36) ESR1NR1H3MAPTKMT2A
SCHEMBL23403241 0.84 HPGD (0.35) USP2ESR1MEN1MAPTKMT2A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed