SCHEMBL5113878

SCHEMBL5113878

COc1ccc(C=O)cc1Sc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
ALDH1A1 P00352 10/20 0.54
TSHR P16473 1/20 0.54
AOX1 Q06278 1/20 0.50
FDPS P14324 1/20 0.47
HPGD P15428 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CYP2C9 P11712 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 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
SCHEMBL10486972 0.88 TTR (0.55) TTRALDH1A1TSHRAOX1FDPS
SCHEMBL6540562 0.81 AR (0.50) TTRALDH1A1TSHRAOX1FDPS
SCHEMBL5605402 0.81 TTR (0.48) TTRALDH1A1TSHRAOX1HPGD
SCHEMBL1965979 0.78 ALDH1A1 (0.63) TTRALDH1A1TSHRAOX1FDPS
SCHEMBL24765638 0.78 ALDH1A1 (0.53) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL21738286 0.78 TTR (0.51) TTRALDH1A1TSHRAOX1FDPS
Hydrochloric Acid SCHEMBL1966184 0.77 ALDH1A1 (0.61) TTRALDH1A1TSHRAOX1FDPS
SCHEMBL6517248 0.77 ALDH1A1 (0.41) TTRALDH1A1HPGDTDP1NPSR1
SCHEMBL14176623 0.77 MAPT (0.51) ALDH1A1HPGDTDP1CYP2C9NPC1
SCHEMBL2887157 0.77 PTGIR (0.50) ALDH1A1NPSR1NPC1RAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381842-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-03 US disclosed
US-6949678-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORP. (US) 2005-09-27 US disclosed
US-20050191567-A1 Oxime ester photoinitiators KUNIMOTO KAZUHIKO (JP) 2005-09-01 US disclosed
US-20010012596-A1 For resist applications; thermostability, storage stability CIBA SPECIALTY CHEMICALS CORP. 2001-08-09 US disclosed