SCHEMBL7864237

SCHEMBL7864237

CCOC(=O)CC(=O)c1ccc(-n2nnc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.48
RAB9A P51151 7/20 0.48
MGAM O43451 6/20 0.48
AMY1A P0DUB6 6/20 0.48
SI P14410 6/20 0.48
MGAM2 Q2M2H8 6/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL14478333 0.86 TP53 (0.46) GAARAB9AMGAMAMY1ASI
SCHEMBL7876074 0.79 ALDH1A1 (0.44) GAARAB9AMGAMSIMGAM2
SCHEMBL7871441 0.79 FGFR1 (0.64) RAB9AALDH1A1MAPT
SCHEMBL9726878 0.79 MAPK1 (0.52) TP53ALDH1A1MAPT
SCHEMBL13911403 0.76 KMT2A (0.50) GAARAB9AMGAMAMY1ASI
SCHEMBL12321787 0.75 KMT2A (0.56) GAARAB9AMGAMAMY1ASI
SCHEMBL14397647 0.74 F12 (0.49) GAARAB9AMGAMAMY1ASI
SCHEMBL3936368 0.74 CA12 (0.54) GAARAB9AMGAMAMY1ASI
SCHEMBL19834327 0.74 RAB9A (0.61) GAARAB9AMGAMAMY1ASI
SCHEMBL7871521 0.73 PTPN1 (0.48) RAB9ANPC1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306853-B1 DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS NIKKEN CHEMICALS CO., LTD. (JP) 2001-10-23 US disclosed
EP-1055672-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 2000-11-29 EP disclosed
EP-0943615-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 1999-09-22 EP disclosed