SCHEMBL25845200

SCHEMBL25845200

O=C(OC(CS(=O)(=O)O)C(F)(F)F)c1ccc(OC(=O)C(I)(I)I)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.33
ACR P10323 2/20 0.31
PRSS1 P07477 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL18775684 0.85 MAPT (0.41) ELANEACRMAPT
SCHEMBL25844847 0.84 KMT2A (0.32) ACRPRSS1ALDH1A1MAPT
SCHEMBL18685700 0.84 ELANE (0.35) ELANECA12CA1CA2CA7
SCHEMBL25844843 0.83 ELANE (0.31) ELANEACRPRSS1
SCHEMBL25845044 0.83 MEN1 (0.31) ACRPRSS1
SCHEMBL25845154 0.83 ELANE (0.37) ELANEACRPRSS1CA12CA1
SCHEMBL18775747 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL18775779 0.82 CA1 (0.45) ELANECA1CA2MAPT
SCHEMBL18775742 0.82 TRPV1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL25844848 0.81

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
US-11709426-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed