SCHEMBL25960355

SCHEMBL25960355

C=C(C)C(=O)OC1(c2ccc(I)cc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
ELANE P08246 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL25960357 0.98 OPRM1 (0.34) OPRM1ELANESIGMAR1CA1CA2
SCHEMBL10062522 0.86 CA1 (0.38) OPRM1ELANECA1CA2LMNA
SCHEMBL25698983 0.86 ESR2 (0.42) ELANECA1CA2LMNAKMT2A
SCHEMBL25960446 0.85 OPRM1 (0.35) OPRM1SIGMAR1CA1CA2
SCHEMBL25564653 0.85 HSD11B1 (0.41) OPRM1
SCHEMBL10062521 0.85 CA1 (0.38) OPRM1ELANECA1CA2LMNA
SCHEMBL13347349 0.84 AKR1C1 (0.43) OPRM1ELANESIGMAR1KMT2A
SCHEMBL17914408 0.84 HRH3 (0.35) ELANECA1CA2LMNAKMT2A
SCHEMBL25564667 0.84 HSD11B1 (0.43) OPRM1
SCHEMBL4903380 0.84 HSD11B1 (0.41) LMNA

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-2023145535-A1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, AND COMPOUND 東京応化工業株式会社 2023-08-03 WO disclosed