SCHEMBL8053202

SCHEMBL8053202

COc1cccc(C=O)c1OC(C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
TLR2 O60603 1/20 0.50
ERN1 O75460 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
NFE2L2 Q16236 5/20 0.46
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ACMSD Q8TDX5 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL7948619 0.89 SRC (0.51) SRCTLR2ERN1TLR1TLR6
SCHEMBL15331107 0.87 KMT2A (0.58) SRCTLR2ERN1TLR1TLR6
SCHEMBL5562717 0.85 PTGDR2 (0.41) SRCTLR2ERN1TLR1TLR6
SCHEMBL11684737 0.82 SRC (0.59) SRCTLR2ERN1TLR1TLR6
SCHEMBL1253814 0.82 SRC (0.58) SRCTLR2ERN1TLR1TLR6
SCHEMBL28792232 0.81 SRC (0.51) SRCTLR2ERN1TLR1TLR6
SCHEMBL5556230 0.80 PTGDR2 (0.50) SRCTLR2ERN1TLR1TLR6
SCHEMBL15333363 0.80 SRC (0.54) SRCTLR2ERN1TLR1TLR6
SCHEMBL20068035 0.80 SRC (0.54) SRCTLR2ERN1TLR1TLR6
SCHEMBL28792297 0.79 SRC (0.49) SRCTLR2ERN1TLR1TLR6

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-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
WO-2022213932-A1 PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF 广州必贝特医药股份有限公司 2022-10-13 WO disclosed
CN-114761410-A Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2022-07-15 CN disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed