SCHEMBL28845205

SCHEMBL28845205

CCc1c(C(N)=O)ccc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 3/20 0.38
ALOX15 P16050 2/20 0.38
ERN1 O75460 1/20 0.36
PARP1 P09874 1/20 0.36
HDAC1 Q13547 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PIK3CA P42336 1/20 0.35
CHUK O15111 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 1/20 0.34

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
SCHEMBL27492457 0.86 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL27645845 0.85 GABRA1 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL1018547 0.83 PARP1 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL15255722 0.82 HSD17B1 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL39790 0.82 SELL (0.57) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL28758608 0.81 MAPT (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL28144405 0.81 MAPT (0.34) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6001788 0.78 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL7999971 0.78 NNMT (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6946233 0.77 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115058182-A Flame-retardant polyurethane coating capable of releasing negative oxygen ions and synthesis process thereof 牡丹江乾元智康环保科技有限公司 2022-09-16 CN claimed
CN-115058182-A Flame-retardant polyurethane coating capable of releasing negative oxygen ions and synthesis process thereof 牡丹江乾元智康环保科技有限公司 2022-09-16 CN disclosed