SCHEMBL28977115

SCHEMBL28977115

Cc1ccc2c(c1)C=CC(F)O2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.41
▸ NISCH Q9Y2I1 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL8404573 0.81 PTGS2 (0.40) PTGS2CA12CA9BRD4CREBBP
SCHEMBL13209599 0.78 PTGS2 (0.41) PTGS2CA12CA9BRD4CREBBP
SCHEMBL17227908 0.73 GAA (0.41) PTGS2SMN1; SMN2
SCHEMBL25191819 0.73 GAA (0.41) PTGS2SMN1; SMN2
SCHEMBL1077043 0.72 P2RY6 (0.34) NISCHKMT2A
SCHEMBL28261874 0.67 ACHE (0.33) CYP1A2SMN1; SMN2
SCHEMBL13591522 0.66 PTGS2 (0.39) PTGS2BRD4CREBBPCYP1A2
SCHEMBL8404570 0.65 NFKB1 (0.35) PTGS2BRD4CREBBPCYP1A2
SCHEMBL8186577 0.64 P2RY6 (0.39) CA12CA9
SCHEMBL22554927 0.63 CREBBP (0.44) PTGS2BRD4CREBBPCYP1A2SMN1; SMN2

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-112930266-B Lithographic printing plate precursor, method for producing lithographic printing plate, and lithographic printing method 富士胶片株式会社 2023-02-28 — — CN disclosed
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