SCHEMBL23399455

SCHEMBL23399455

CC(C)c1c(O)cnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
NR4A3 Q92570 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RIPK2 O43353 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL23399749 0.84 HIF1A (0.42) ALDH1A1NPC1RAB9AHIF1ASMN1; SMN2
SCHEMBL23401245 0.82 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL23398442 0.80 NPBWR1 (0.47) ALDH1A1NPC1RAB9AHIF1ASMN1; SMN2
SCHEMBL12316240 0.80 HIF1A (0.41) MAPK1ALDH1A1GAANR4A3NPC1
SCHEMBL24694865 0.80 RAB9A (0.44) MAPK1ALDH1A1GAANPC1RAB9A
SCHEMBL31276314 0.79 ALDH1A1 (0.53) MAPK1ALDH1A1GAANR4A3NPC1
SCHEMBL23401992 0.78 HIF1A (0.44) ALDH1A1TDP1HIF1ASMN1; SMN2LMNA
SCHEMBL5512443 0.78 NR4A3 (0.59) MAPK1ALDH1A1GAANR4A3NPC1
Hydrochloric Acid SCHEMBL26123151 0.77 NPC1 (0.45) ALDH1A1NPC1RAB9AATMTDP1
SCHEMBL31584520 0.76 MAPK1 (0.51) MAPK1ALDH1A1GAANR4A3SMN1; SMN2

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