SCHEMBL26317302

SCHEMBL26317302

CC(=O)c1ccc2c(c1)oc1c2ccc2c3ccccc3oc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
TTR P02766 2/20 0.53
HTR2B P41595 1/20 0.51
HPGD P15428 4/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 7/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL7110522 0.92 NPC1 (0.69) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL26317339 0.90 NPC1 (0.59) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL26304575 0.90 NPC1 (0.59) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL26304441 0.89 NPC1 (0.65) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL26323186 0.86 HPGD (0.62) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL26317335 0.85 NPC1 (0.65) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL26304467 0.84 NPC1 (0.68) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL15040999 0.82 NPC1 (0.54) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL26304440 0.82 NPC1 (0.74) NPC1RAB9ATTRHTR2BHPGD
SCHEMBL26317317 0.82 NPC1 (0.65) NPC1RAB9ATTRHTR2BHPGD

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-4242196-A1 METHOD FOR PREPARING DEUTERATED ANTHRACENE COMPOUND, REACTION COMPOSITION, DEUTERATED ANTHRACENE COMPOUND AND COMPOSITION Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed