SCHEMBL7354536

SCHEMBL7354536

CCC(c1ccccc1)c1c(O)c2ccc(OC)cc2oc1=O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.69
NQO1 P15559 3/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
VKORC1 Q9BQB6 2/20 0.55
ALB P02768 1/20 0.55
PCSK7 Q16549 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL7352607 0.91 CYP2C9 (0.69) CYP2C9NQO1MEN1KMT2AKDM4E
SCHEMBL7359481 0.89 CYP2C9 (0.67) CYP2C9NQO1MEN1KMT2AKDM4E
SCHEMBL17133407 0.88 CYP2C9 (0.72) CYP2C9NQO1MEN1KMT2AKDM4E
SCHEMBL7353207 0.87 CYP2C9 (0.79) CYP2C9NQO1MEN1KMT2AKDM4E
SCHEMBL7357584 0.85 CYP2C9 (0.76) CYP2C9NQO1MEN1KMT2AKDM4E
SCHEMBL7359563 0.85 CYP2C9 (0.58) CYP2C9NQO1MEN1KMT2AKDM4E
SCHEMBL27418866 0.85 CYP2C9 (0.61) CYP2C9NQO1MEN1KMT2AKDM4E
SCHEMBL7355347 0.84 CYP2C9 (0.74) CYP2C9NQO1MEN1KMT2AKDM4E
SCHEMBL7359848 0.83 CYP2C9 (0.72) CYP2C9NQO1MEN1KMT2AKDM4E
Phenprocoumon SCHEMBL24500472 0.82 CYP2C9 (1.00) CYP2C9NQO1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO disclosed