SCHEMBL6502372

SCHEMBL6502372

CCOC(=O)c1cnoc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 13/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
MAPT P10636 6/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.52
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
TP53 P04637 2/20 0.51
KDM4E B2RXH2 5/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
STAT1 P42224 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5771735 0.97 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5773388 0.88 TARBP2 (0.48) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL343836 0.86 HTT (0.50) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL10668171 0.86 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL11384351 0.86 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5776864 0.85 GAA (0.51) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL5775490 0.84 ALOX5 (0.52) ALDH1A1SMN1; SMN2MAPTTP53KDM4E
SCHEMBL5774574 0.83 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL13527916 0.83 PTGS1 (0.54) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11382098 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 US disclosed