SCHEMBL6858883

SCHEMBL6858883

[O]C(=O)c1c(O)cc(O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HPGD P15428 3/20 0.59
FASN P49327 1/20 0.56
PTGS1 P23219 1/20 0.52
DRD3 P35462 1/20 0.52
ACHE P22303 2/20 0.50
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC5A1 P13866 2/20 0.42
MAPK1 P28482 2/20 0.42
SLC5A2 P31639 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC16A3 O15427 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL6272879 0.79 FASN (0.75) CYP3A4MEN1KMT2AHPGDFASN
SCHEMBL180437 0.77 CYP3A4 (0.70) CYP3A4MEN1KMT2AHPGDFASN
SCHEMBL5603948 0.77 CYP3A4 (0.70) CYP3A4MEN1KMT2AHPGDFASN
Methane SCHEMBL28043126 0.74 CYP3A4 (0.67) CYP3A4MEN1KMT2AHPGDFASN
SCHEMBL2474256 0.74 CYP3A4 (0.56) CYP3A4MEN1KMT2AHPGDFASN
Water SCHEMBL1285656 0.74 CYP3A4 (0.67) CYP3A4MEN1KMT2AHPGDFASN
Benzene SCHEMBL28591583 0.74 CYP3A4 (0.67) CYP3A4MEN1KMT2AHPGDFASN
2,4,6-Trihydroxyacetophenone SCHEMBL105416 0.74 CYP3A4 (1.00) CYP3A4MEN1KMT2AHPGDFASN
SCHEMBL8215504 0.74 CYP3A4 (0.67) CYP3A4MEN1KMT2AHPGDFASN
SCHEMBL8206510 0.74 CYP3A4 (0.67) CYP3A4MEN1KMT2AHPGDFASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783913-B2 POLYMERIC ACETAL RESIN CONTAINS UNITS (A), (B), (C), (D), AND (E). UNIT (A) IS A VINYL ALCOHOL UNIT. UNIT; (B) IS A POLYVINYL ACETAL UNIT CONTAINING AN R GROUP, WHERE R IS HYDROGEN, AN ALIPHATIC GROUP, AN AROMATIC GROUP, OR AN KODAK POLYCHROME GRAPHICS LLC 2004-08-31 US claimed
US-20030198887-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing EASTMAN KODAK COMPANY 2003-10-23 US claimed
EP-1350801-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing Kodak Polychrome Graphics GmbH (DE) 2003-10-08 EP claimed
CN-111909101-B EGFR kinase inhibitor and application thereof in preparation of anti-cancer drugs 浙江大学 2022-07-19 CN disclosed
WO-2020228635-A1 EGFR KINASE INHIBITOR AND APPLICATION THEREOF IN PREPARING ANTI-CANCER DRUG 浙江大学 2020-11-19 WO disclosed
CN-111909101-A EGFR kinase inhibitor and application thereof in preparation of anti-cancer drugs 浙江大学 2020-11-10 CN disclosed