SCHEMBL23399314

SCHEMBL23399314

Cc1ccccc1-c1c(C(C)(C)C)c(O)nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.36
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 3/20 0.34
ALOX15 P16050 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
IGF1R P08069 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
ADORA2A P29274 1/20 0.33
NPC1 O15118 4/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL23401125 0.83 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23403468 0.81 ESR1 (0.37) RAB9ASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL23402541 0.81 ALDH1A1 (0.40) HPGDMAPTUSP2TSHRALDH1A1
SCHEMBL23401867 0.81 SMN1; SMN2 (0.32) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23402241 0.81 TRPM8 (0.40) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23398455 0.80 TDP2 (0.39) TDP2RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL23400780 0.79 MAPT (0.38) RAB9ASMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL23400695 0.78 TDP2 (0.36) TDP2RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL23400928 0.78 TDP2 (0.36) TDP2RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL23402885 0.77 TDP2 (0.39) TDP2RAB9ASMN1; SMN2HPGDMAPT

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