SCHEMBL21705910

SCHEMBL21705910

CCCCCC(=O)Oc1c(O)cc(C=O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
APP P05067 2/20 0.43
ALOX15 P16050 1/20 0.42
TOP2A P11388 2/20 0.41
FFAR1 O14842 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
ELANE P08246 2/20 0.39
POLM Q9NP87 1/20 0.39
POLK Q9UBT6 1/20 0.39
POLL Q9UGP5 1/20 0.39
POLH Q9Y253 1/20 0.39
IAPP P10997 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NR4A1 P22736 1/20 0.39
DGKA P23743 1/20 0.39
AKR1B1 P15121 1/20 0.38

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
SCHEMBL11546987 0.83 NR4A1 (0.50) ALOX15FFAR1PLA2G2APLA2G5ELANE
SCHEMBL8356454 0.81 TOP2A (0.56) KMT2AALOX15TOP2APOLMPOLK
SCHEMBL21998479 0.81 SRC (0.43) KMT2AALOX15IAPPAKR1B1
SCHEMBL9177728 0.76 KMT2A (0.58) KMT2APOLMPOLKPOLLPOLH
SCHEMBL21705960 0.76 APP (0.46) APPPLA2G2AAKR1C3AKR1C2
SCHEMBL3172173 0.75 KMT2A (0.84) KMT2ATOP2APOLMPOLKPOLL
SCHEMBL27900290 0.74 EPHX2 (0.50) ALOX15FFAR1POLMPOLKPOLL
SCHEMBL1665845 0.74 KMT2A (0.81) KMT2ATOP2APOLMPOLKPOLL
SCHEMBL9746611 0.74 KMT2A (0.81) KMT2ATOP2APOLMPOLKPOLL
SCHEMBL13263852 0.74 KMT2A (0.81) KMT2ATOP2APOLMPOLKPOLL

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
WO-2020032752-A1 CATECHIN COMPOUND AND USE THEREOF 주식회사 엘큐바이오 2020-02-13 WO disclosed
WO-2020032744-A1 CATECHIN COMPOUND AND USE THEREOF 주식회사 엘큐바이오 2020-02-13 WO disclosed