SCHEMBL6971420

SCHEMBL6971420

CCOC(=O)c1cc(C(C)(C)C)cc(C(C)=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6299118 0.83 GAA (0.51) GAANPC1POLBCA12CA1
SCHEMBL14764650 0.83 GABRA1 (0.46) GAAPOLBALDH1A1KDM4EHSD17B10
SCHEMBL6179423 0.81 GAA (0.49) GAANPC1POLBCA12CA1
SCHEMBL10469464 0.78 GABRA1 (0.41) GAAPOLBALDH1A1KDM4EMAPT
SCHEMBL11561649 0.76 AKR1C2 (0.47) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL23796484 0.76 CA12 (0.65) GAACA12CA1CA2CA7
SCHEMBL4625676 0.76 TSHR (0.56) GAANPC1CA12CA1CA2
SCHEMBL15724964 0.74 CA12 (0.51) NPC1CA12CA1CA2CA7
SCHEMBL7933917 0.74 ESR1 (0.41) ALDH1A1KDM4EHSD17B10HPGDNR5A2
SCHEMBL4239107 0.73 TSHR (0.63) GAANPC1POLBCA12CA1

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
EP-0902007-B1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2003-11-05 EP disclosed
US-6046212-A ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2000-04-04 US disclosed
EP-0902007-A1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-03-17 EP disclosed