SCHEMBL6815499

SCHEMBL6815499

O=C(O)c1occc1COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TP53 P04637 2/20 0.55
ESR1 P03372 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
ESR2 Q92731 1/20 0.55
HRH3 Q9Y5N1 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.45
FFAR4 Q5NUL3 3/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
GPR35 Q9HC97 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL6816018 0.78 TP53 (0.65) POLBTDP1L3MBTL1TP53ESR1
SCHEMBL6815496 0.75 PTGER4 (0.61) POLBTDP1L3MBTL1HRH3MRGPRX4
SCHEMBL15330025 0.75 L3MBTL1 (0.65) POLBTDP1L3MBTL1TP53ESR1
SCHEMBL6810690 0.73 POLB (0.63) POLBTDP1L3MBTL1APEX1MAPK1
SCHEMBL5274797 0.72 MEN1 (0.70) POLBHRH3KMT2AMEN1NPC1
SCHEMBL5326805 0.70 MEN1 (0.67) POLBHRH3KMT2AMEN1NPC1
SCHEMBL30117303 0.70 TDP1 (0.56) POLBTDP1L3MBTL1TP53ESR1
SCHEMBL5249481 0.69 HRH3 (0.60) L3MBTL1HRH3MRGPRX4KMT2ARAB9A
SCHEMBL11720322 0.69 HRH3 (0.57) POLBHRH3FFAR4KMT2AMEN1
SCHEMBL8062861 0.68 ACMSD (0.55) POLBHRH3MRGPRX4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed