SCHEMBL28926409

SCHEMBL28926409

C=C1C=CC(C(=O)OC)=CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.33
RECQL P46063 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
THRB P10828 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL665568 0.84
SCHEMBL48012 0.78 LMNA (0.37) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL7035636 0.77 LMNA (0.36) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL8417905 0.77 TSHR (0.35) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL1646118 0.75
SCHEMBL29110715 0.74 HDAC2 (0.34) CA1CA12CA9
SCHEMBL7259999 0.74
SCHEMBL2225346 0.74 CHRM3 (0.32) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL11893095 0.73 ALDH1A1 (0.34) RECQLLMNABLMTDP1KDM4E
SCHEMBL6813512 0.73 CHRM3 (0.31) CHRM3PTPN1LMNACHRM2CHRM4

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
CN-115385876-A Method for constructing C-C bond by photocatalytic activation of alpha-position C-H bond of tetrahydrofuran 中国科学院理化技术研究所 2022-11-25 CN disclosed