SCHEMBL23401581

SCHEMBL23401581

CCCCn1nc(-c2ccc(C)cc2)c(C(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
GCGR P47871 1/20 0.37
ATM Q13315 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TP53 P04637 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23399406 0.92 ESR1 (0.44) ESR1MEN1KMT2AMAPTATM
SCHEMBL23401394 0.88 MEN1 (0.50) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23401575 0.86 RAB9A (0.38) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23401599 0.85 TLR8 (0.41) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23398552 0.83 ESR1 (0.46) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23399720 0.82 ESR1 (0.45) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23403349 0.82 RAB9A (0.37) MEN1KMT2AMAPTCYP1A2ATM
SCHEMBL23399346 0.82 ESR1 (0.41) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23400592 0.81 ESR1 (0.43) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23399606 0.81 ESR1 (0.44) 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