SCHEMBL6990239

SCHEMBL6990239

CNc1cc(C=O)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
TTR P02766 1/20 0.37
IP6K1 Q92551 1/20 0.37
HTR6 P50406 1/20 0.36
BRD4 O60885 1/20 0.36
AXL P30530 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
NAT1 P18440 2/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
APP P05067 1/20 0.35
DRD1 P21728 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6995100 0.82 ALDH1A1 (0.42) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL4885673 0.80 ALDH1A1 (0.43) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL6990245 0.79 DRD1 (0.47) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL35967 0.77 ALDH1A1 (0.48) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL11837965 0.77 ESR2 (0.53) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL257774 0.77 MEN1 (0.46) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL29681880 0.75 ALDH1A1 (0.42) ALDH1A1CYP2A6KDM4ETRIM24TRIM33
SCHEMBL7273589 0.75 ALDH1A1 (0.42) ALDH1A1CYP2A6KDM4ETRIM24TRIM33
SCHEMBL3933848 0.74 KDM4E (0.57) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL5490742 0.74 ALDH1A1 (0.50) ALDH1A1CYP2A6MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296897-A PPAR-modulating biaromatic compounds GALDERMA RES & DEV (FR) 2008-10-29 CN disclosed
EP-1309575-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS Galderma Research & Development (FR) 2003-05-14 EP disclosed
WO-2002012210-A9 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RES & DEV (FR) 2002-04-18 WO disclosed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 WO disclosed