SCHEMBL8305036

SCHEMBL8305036

C=CCc1c(-c2cc(=O)c3c(O)cc(OCc4ccccc4)cc3o2)ccc(OC)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
ABCB1 P08183 2/20 0.59
BCL2 P10415 1/20 0.52
BCL2L1 Q07817 1/20 0.52
EGFR P00533 1/20 0.49
RET P07949 1/20 0.49
KDR P35968 1/20 0.49
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
PPARG P37231 2/20 0.49
KDM5A P29375 1/20 0.49
CREB1 P16220 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TERT O14746 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46

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
SCHEMBL8308046 0.89 MAOB (0.52) MAPTABCB1EGFRRETKDR
SCHEMBL8429592 0.89 XDH (0.52) MAPTABCB1BCL2BCL2L1EGFR
SCHEMBL8309333 0.86 CYP1B1 (0.57) MAPTNPC1CYP3A4CYP2C9CYP2C19
SCHEMBL8859506 0.85 CYP1B1 (0.43) MAPTABCB1BCL2BCL2L1EGFR
SCHEMBL8305652 0.85 CYP1B1 (0.43) MAPTABCB1BCL2BCL2L1EGFR
SCHEMBL8305322 0.85 CYP1B1 (0.43) MAPTABCB1BCL2BCL2L1EGFR
SCHEMBL8306988 0.84 CYP1B1 (0.42) MAPTABCB1BCL2BCL2L1EGFR
SCHEMBL8429201 0.84 KDM4E (0.51) MAPTEGFRRETKDRCYP3A4
SCHEMBL8427185 0.82 POLB (0.47) MAPTABCB1NPC1CYP3A4CYP2C9
SCHEMBL8307482 0.81 AKT1 (0.56) MAPTKDRNPC1ABCG2CREB1

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-0709383-B1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-15 EP disclosed
US-5629339-A CHRONIC VENOUS INSUFFICIENCY ADIR ET COMPAGNIE (FR) 1997-05-13 US disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed