SCHEMBL30755194

SCHEMBL30755194

Cc1c(C(F)(F)F)ccc(I)c1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.40
▸ NR1H3 Q13133 3/20 0.40
▸ RXRA P19793 1/20 0.40
▸ GRM6 O15303 1/20 0.38
▸ CFTR P13569 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CISD2 Q8N5K1 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TAS2R14 Q9NYV8 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL27379293 0.81 GRM6 (0.40) GRM6CISD2CYP2C9CYP2C19NPSR1
SCHEMBL27379121 0.79 TAS2R14 (0.41) CFTRLMNANOTUMCES2TAS2R14
SCHEMBL30755336 0.79 TAS2R14 (0.41) CFTRLMNANOTUMCES2TAS2R14
SCHEMBL27379419 0.78 GRM6 (0.40) GRM6LMNACISD2CYP2C9CYP2C19
SCHEMBL27588996 0.75 ACHE (0.38) GRM6POLBCISD2CYP2C19
SCHEMBL22207920 0.74 SCN10A (0.37) NR1H2NR1H3RXRAGRM6LMNA
SCHEMBL13529945 0.74 NOTUM (0.48) NR1H2NR1H3RXRACFTRLMNA
SCHEMBL22207925 0.72 SCN10A (0.46) NR1H2NR1H3RXRAGRM6
SCHEMBL31697169 0.72 SCN10A (0.46) NR1H2NR1H3RXRAGRM6
SCHEMBL30755472 0.72 IDH1 (0.35) NR1H2NR1H3RXRAGRM6CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562016-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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