SCHEMBL5799161

SCHEMBL5799161

Cc1cccc2c1c(C(=O)O)c(C(=O)O)n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MCL1 Q07820 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BCL2 P10415 1/20 0.36
MAP3K5 Q99683 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL27798472 0.85 EGFR (0.41) EGFRTDP1L3MBTL1MCL1ALDH1A1
SCHEMBL1253404 0.79 EGFR (0.42) EGFRTDP1L3MBTL1MCL1ALDH1A1
Hydrochloric Acid SCHEMBL1504224 0.78 EGFR (0.41) EGFRTDP1L3MBTL1MCL1ALDH1A1
SCHEMBL11811603 0.74 EGFR (0.65) EGFRL3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL28434877 0.73 SLC9A1 (0.41) EGFRTDP1L3MBTL1MCL1ALDH1A1
SCHEMBL28268477 0.73 EGFR (0.43) EGFRTDP1L3MBTL1MCL1ALDH1A1
SCHEMBL7380319 0.73 CA12 (0.42) EGFRL3MBTL1MCL1ALDH1A1PKM
SCHEMBL19331295 0.72 EGFR (0.45) EGFRL3MBTL1MCL1ALDH1A1LMNA
SCHEMBL2662182 0.72 SLC9A1 (0.40) EGFRTDP1MCL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28263963 0.72 SLC9A1 (0.40) EGFRTDP1L3MBTL1MCL1ALDH1A1

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
WO-2006053062-A2 TIN ALLOY ELECTROPLATING SYSTEM TASKEM, INC. (US) 2006-05-18 WO disclosed
US-20060096867-A1 Tin alloy electroplating system TASKEM, INC. 2006-05-11 US disclosed