SCHEMBL23399486

SCHEMBL23399486

CCc1cnn(-c2ccccc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.55
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
BLM P54132 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL23402338 0.86 USP2 (0.47) NR4A3MAPK1ALDH1A1HPGDMAPT
SCHEMBL23401502 0.84 SMN1; SMN2 (0.50) ALDH1A1MAPTLMNANPSR1RXFP1
SCHEMBL23398637 0.83 NR4A3 (0.43) NR4A3MAPK1ALDH1A1HPGDMAPT
SCHEMBL23400827 0.82 NPC1 (0.50) ALDH1A1HPGDMAPTLMNANPSR1
SCHEMBL23399985 0.81 GABRA1 (0.42) NR4A3MAPK1ALDH1A1HPGDMAPT
SCHEMBL4622844 0.81 CNR1 (0.45) NR4A3MAPK1ALDH1A1HPGDMAPT
SCHEMBL12338161 0.80 NR4A3 (0.66) NR4A3MAPK1ALDH1A1HPGDMAPT
SCHEMBL12806554 0.80 SMO (0.59) NR4A3MAPK1ALDH1A1HPGDMAPT
SCHEMBL12087911 0.79 ALDH1A1 (0.56) NR4A3ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL14468578 0.79 NR4A3 (0.51) NR4A3MAPK1ALDH1A1HPGDMAPT

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