SCHEMBL23399693

SCHEMBL23399693

CCCCn1nc(-c2ccc(C)cc2)c(O)c1CCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
NR1H3 Q13133 1/20 0.38
TP53 P04637 1/20 0.37
RAB9A P51151 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
SCHEMBL23398824 0.94 ESR1 (0.44) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23400510 0.91 ESR1 (0.44) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23398605 0.91 ESR1 (0.46) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23400467 0.89 ESR1 (0.44) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23402624 0.88 ESR1 (0.40) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23400328 0.87 MEN1 (0.52) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23401147 0.87 ESR1 (0.41) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23398443 0.86 MEN1 (0.41) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23401137 0.85 ESR1 (0.46) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23402149 0.85 ESR1 (0.46) ESR1MEN1KMT2AMAPTCYP1A2

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