SCHEMBL22192248

SCHEMBL22192248

Nc1ccc(OCC(=O)Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 2/20 0.42
PARP10 Q53GL7 1/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
APP P05067 1/20 0.40

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
Hydrochloric Acid SCHEMBL11684149 0.98 TDP1 (0.47) TDP1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL2117441 0.89 ALOX15 (0.50) SMN1; SMN2MAPTALOX15ALDH1A1HPGD
SCHEMBL17676526 0.83 TDP1 (0.52) TDP1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL105460 0.81 ATF4 (0.54) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL655820 0.81 ALOX15 (0.65) TDP1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL3999558 0.81 TDP1 (0.51) TDP1TSHRRAB9ASMN1; SMN2TP53
SCHEMBL4745488 0.81 MAPT (0.47) RAB9AMAPTALOX15
SCHEMBL2717154 0.79 MAPT (0.62) TDP1NPC1MAPTGAAL3MBTL1
SCHEMBL2721374 0.79 LMNA (0.56) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL1619089 0.79 NPC1 (0.53) RAB9ASMN1; SMN2NPC1TP53MAPT

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
US-10703911-B2 Organic colorant, coloring composition, and inkjet ink RICOH COMPANY, LTD. (JP) 2020-07-07 US disclosed