SCHEMBL23401604

SCHEMBL23401604

Cc1cccc(-c2c(C(C)(C)C)c(O)nn2-c2ccccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
SLC16A3 O15427 3/20 0.37
SLC16A1 P53985 3/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
RPA1 P27694 1/20 0.36
USP2 O75604 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 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
SCHEMBL23399114 0.88 ALDH1A1 (0.45) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23399308 0.86 ALDH1A1 (0.40) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23399130 0.85 NPC1 (0.48) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400390 0.84 ALDH1A1 (0.44) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402571 0.83 ALDH1A1 (0.47) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23401825 0.82 ALDH1A1 (0.40) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23398836 0.82 ALDH1A1 (0.45) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23401918 0.82 L3MBTL1 (0.48) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23401116 0.82 ALDH1A1 (0.44) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23399181 0.80 ALDH1A1 (0.40) ALDH1A1MAPK14MAPK13MAPK12MAPK11

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