SCHEMBL21705960

SCHEMBL21705960

CCCCCCOc1c(O)cc(C=O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.46
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
ESR1 P03372 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
NR5A1 Q13285 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
PLA2G2A P14555 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14195840 0.88 ALDH1A1 (0.45) ALDH1A1
SCHEMBL4005149 0.83 ALDH1A1 (0.46) APPTHRATHRBESR1ALDH1A1
SCHEMBL1201447 0.81 FDPS (0.44) THRATHRBPLA2G2AALDH1A1
SCHEMBL1201490 0.81 FDPS (0.44) THRATHRBPLA2G2AALDH1A1
SCHEMBL1201339 0.81 FDPS (0.44) THRATHRBPLA2G2AALDH1A1
SCHEMBL1201058 0.81 FDPS (0.44) THRATHRBPLA2G2AALDH1A1
SCHEMBL1201157 0.81 FDPS (0.44) THRATHRBPLA2G2AALDH1A1
SCHEMBL6847530 0.81 FDPS (0.44) THRATHRBPLA2G2AALDH1A1
SCHEMBL4937483 0.81 FDPS (0.44) THRATHRBPLA2G2AALDH1A1
SCHEMBL8035224 0.81 THRA (0.51) THRATHRBESR1PLA2G2AALDH1A1

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