SCHEMBL27700710

SCHEMBL27700710

CC(=O)C(C=O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
NAPRT Q6XQN6 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
ATM Q13315 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX5 P09917 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
EPHX1 P07099 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL6242825 0.84 CASP1 (0.45) HSD17B10NAPRTALDH1A1MAPTLMNA
SCHEMBL243227 0.84 CASP1 (0.45) HSD17B10NAPRTALDH1A1MAPTLMNA
SCHEMBL10713625 0.74 MMP8 (0.50) ALDH1A1MAPTNPC1RAB9ATAAR1
SCHEMBL10878216 0.74 FDPS (0.49) ALDH1A1GAALMNANPC1RAB9A
SCHEMBL7251351 0.74 TDP1 (0.54) HSD17B10NAPRTALDH1A1MAPTGAA
SCHEMBL13020267 0.74 TDP1 (0.54) HSD17B10NAPRTALDH1A1MAPTGAA
SCHEMBL9096879 0.73 NPC1 (0.37) ALDH1A1MAPTGAALMNAATM
SCHEMBL11690750 0.72 HSD17B10 (0.54) HSD17B10NAPRTALDH1A1MAPTGAA
SCHEMBL6904424 0.72 MAPT (0.56) HSD17B10NAPRTALDH1A1MAPTGAA
SCHEMBL27791663 0.72 HSD17B10 (0.48) HSD17B10NAPRTALDH1A1MAPTGAA

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
CN-101158043-A Method for synthesizing mannich alkali steel inhibitor mother liquor and steel inhibitor mother liquor XINGJIANG PETROLEUM INST CHINA (CN) 2008-04-09 CN disclosed