SCHEMBL30755433

SCHEMBL30755433

Cc1c(F)ccc(C2CCC(F)(F)CC2)c1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 6/20 0.36
▸ OPRL1 P41146 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NR3C2 P08235 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL27379299 1.00 HDAC4 (0.36) HDAC4OPRL1MEN1KMT2AATM
SCHEMBL27379394 0.87 HSD11B1 (0.39) MEN1KMT2AATMNR3C2POLB
SCHEMBL30755472 0.86 IDH1 (0.35) MEN1KMT2AATMGRM6TP53
SCHEMBL27377777 0.85 GPR119 (0.36) SCN5ASCN9AIDH1IDH2GPR119
SCHEMBL30755349 0.85 GPR119 (0.36) SCN5ASCN9AIDH1IDH2GPR119
SCHEMBL27378973 0.84 MEN1 (0.38) HDAC4MEN1KMT2AATMALDH1A1
SCHEMBL27375374 0.84 ALOX5AP (0.31) SCN5ASCN9AIDH1IDH2GPR119
SCHEMBL30755212 0.81 CA12 (0.37) MEN1KMT2AATMIDH1IDH2
SCHEMBL27375885 0.81 CA12 (0.37) MEN1KMT2AATMIDH1IDH2
SCHEMBL27375857 0.81 MEN1 (0.36) HDAC4MEN1KMT2AATMTP53

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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