SCHEMBL23398605

SCHEMBL23398605

CCCc1c(O)c(-c2ccc(C)cc2)nn1CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.46
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL23400467 0.91 ESR1 (0.44) ESR1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL23399693 0.91 ESR1 (0.44) ESR1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL23402624 0.91 ESR1 (0.40) ESR1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL23403454 0.91 ESR1 (0.46) ESR1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL23400252 0.86 ALDH1A1 (0.40) ESR1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL23400660 0.86 MEN1 (0.50) ESR1KMT2AMEN1TP53MAPT
SCHEMBL23399251 0.86 FYN (0.37) ESR1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL23398824 0.85 ESR1 (0.44) ESR1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL23400206 0.84 ESR1 (0.48) ESR1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL23400115 0.84 ESR1 (0.48) ESR1ALDH1A1SMN1; SMN2GAAKMT2A

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