SCHEMBL23398455

SCHEMBL23398455

Cc1ccccc1-c1c(C)c(O)nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.37
RAB9A P51151 5/20 0.37
HPGD P15428 4/20 0.37
ALOX15 P16050 3/20 0.37
MAPT P10636 3/20 0.37
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
USP2 O75604 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 2/20 0.37
NPC1 O15118 5/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
IGF1R P08069 2/20 0.36
ADORA2A P29274 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
SCHEMBL23402901 0.81 TRPM8 (0.38) TDP2SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL23399314 0.80 TDP2 (0.36) TDP2SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL23400023 0.80 MAPT (0.41) TDP2SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL23401437 0.79 ESR1 (0.40) SMN1; SMN2RAB9AHPGDALOX15MAPT
SCHEMBL23402927 0.79 USP2 (0.38) TDP2SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL23402885 0.79 TDP2 (0.39) TDP2SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL23401618 0.78 TRPM8 (0.40) SMN1; SMN2RAB9AHPGDALOX15MAPT
SCHEMBL23399511 0.78 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AHPGDALOX15MAPT
SCHEMBL23401280 0.78 HIF1A (0.44) SMN1; SMN2HPGDMAPTUSP2TSHR
SCHEMBL23398780 0.78 ALDH1A1 (0.39) SMN1; SMN2RAB9AHPGDALOX15MAPT

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