SCHEMBL9956957

SCHEMBL9956957

CCc1ccccc1-c1cnn(C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
NR4A3 Q92570 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.37
TLR8 Q9NR97 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
PTGIR P43119 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
SCHEMBL27926087 0.88 DPP4 (0.41) HIF1AKDM4EALDH1A1BRD4BRD9
SCHEMBL9957126 0.81 KDM4E (0.43) HIF1AKDM4EALDH1A1BRD4GAA
SCHEMBL9955454 0.79 LPAR1 (0.47) HIF1AKDM4EALDH1A1KMT2APKM
SCHEMBL14397416 0.78 HIF1A (0.43) HIF1AKDM4EALDH1A1GAAKMT2A
SCHEMBL13714044 0.77 L3MBTL1 (0.41) NR4A3GAAKMT2ALMNAL3MBTL1
SCHEMBL9697757 0.76 PKM (0.41) HIF1AKDM4EALDH1A1BRD4BRD9
SCHEMBL6786512 0.75 BPTF (0.48) KDM4EALDH1A1BRD4BRD9GAA
SCHEMBL28016014 0.75 BPTF (0.42) HIF1AKDM4EBRD4BRD9GAA
SCHEMBL14398377 0.73 L3MBTL1 (0.47) HIF1AKDM4EALDH1A1GAAKMT2A
SCHEMBL21937795 0.70 CREBBP (0.70) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed