SCHEMBL9246152

SCHEMBL9246152

COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
ALDH1A1 P00352 10/20 0.56
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 2/20 0.56
PKM P14618 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
HPGD P15428 5/20 0.55
NPSR1 Q6W5P4 4/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 3/20 0.54
RECQL P46063 1/20 0.54
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
PLIN1 O60240 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL9197946 0.84 KMT2A (1.00) KMT2AALDH1A1MEN1KDM4ECRHBP
SCHEMBL19607880 0.76 KMT2A (0.72) KMT2AALDH1A1MAPTHTTPDE4B
SCHEMBL8023568 0.76 KMT2A (0.72) KMT2AALDH1A1PDE4BPDE3A
SCHEMBL7008510 0.73 MAPT (0.71) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL16319198 0.72 KMT2A (0.76) KMT2AALDH1A1MEN1CRHBPCRHR2
SCHEMBL16319317 0.72 KMT2A (0.76) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL28606256 0.72 KMT2A (0.76) KMT2AALDH1A1MEN1KDM4EPKM
SCHEMBL13936247 0.71 KMT2A (0.62) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL8051164 0.71 KMT2A (0.62) KMT2AALDH1A1MEN1KDM4EPKM
SCHEMBL13317551 0.71 MAPT (0.76) KMT2AALDH1A1MEN1KDM4EHPGD

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-5414108-A From a Meldrum's acid derivative BIOGAL GYOGYSZERGRAR (HU) 1995-05-09 US disclosed
US-5350872-A Decyclization and decarboxylation of a 1,3-dioxane-4,6-dione BIOGAL GYOGYSZERGRAR (HU) 1994-09-27 US disclosed
EP-0578850-A1 Process for the preparation of carboxylic acids and derivatives of them BIOGAL GYOGYSZERGYAR (HU) 1994-01-19 EP disclosed