SCHEMBL9850087

SCHEMBL9850087

COc1ccccc1C1(OC)CCOC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.39
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
NAT1 P18440 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
MIF P14174 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL3679517 0.78 CYP2C9 (0.35) KMT2AALDH1A1MEN1SIRT1CYP3A4
SCHEMBL28591333 0.77 L3MBTL1 (0.42) SIGMAR1HTTKMT2ATXNRD1TXNRD3
SCHEMBL9850089 0.73 ATM (0.40) KMT2AALDH1A1NPSR1MEN1CA9
SCHEMBL9326126 0.67 SIGMAR1 (0.55) SIGMAR1HTTKMT2AALDH1A1OPRM1
SCHEMBL8747300 0.66 SIGMAR1 (0.46) SIGMAR1HTTKMT2AALDH1A1OPRM1
SCHEMBL19291033 0.65 SIGMAR1 (0.53) SIGMAR1HTTKMT2AALDH1A1OPRM1
SCHEMBL28302026 0.65 SIGMAR1 (0.49) SIGMAR1HTTKMT2AALDH1A1OPRM1
SCHEMBL30211173 0.65 SMN1; SMN2 (0.42) KMT2ANPSR1MEN1OPRM1OPRD1
SCHEMBL2046175 0.64 SIGMAR1 (0.51) SIGMAR1HTTKMT2AALDH1A1HPGD
SCHEMBL1132825 0.64 SIGMAR1 (0.51) SIGMAR1HTTKMT2AALDH1A1OPRM1

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
EP-0423482-A1 5H-furan-2-one derivatives BAYER AG (DE) 1991-04-24 EP disclosed