SCHEMBL27376358

SCHEMBL27376358

O=C(O)c1ccccc1C1CCC(F)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
MLYCD O95822 1/20 0.42
RBP4 P02753 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
PARP1 P09874 1/20 0.39
TBK1 Q9UHD2 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30755499 0.85 PARP1 (0.46) ALDH1A1PARP1KDM4EHPGDMAPT
SCHEMBL30526942 0.85 PARP1 (0.46) ALDH1A1PARP1KDM4EHPGDMAPT
SCHEMBL4109572 0.84 ALDH1A1 (0.54) CYP2C9ALDH1A1ALOX15MLYCDRBP4
SCHEMBL30175300 0.84 ALDH1A1 (0.54) CYP2C9ALDH1A1ALOX15MLYCDRBP4
SCHEMBL10457353 0.84 ALDH1A1 (0.54) CYP2C9ALDH1A1ALOX15MLYCDRBP4
SCHEMBL28372623 0.83 CYP2C9 (0.42) CYP2C9ALDH1A1ALOX15MLYCDRBP4
Hydrochloric Acid SCHEMBL29705669 0.82 ALDH1A1 (0.52) CYP2C9ALDH1A1ALOX15MLYCDRBP4
SCHEMBL30755502 0.82 CYP2C9 (0.41) CYP2C9ALDH1A1ALOX15MLYCDRBP4
SCHEMBL3634253 0.80 ALDH1A1 (0.50) CYP2C9ALDH1A1ALOX15MLYCDCYP2D6
SCHEMBL2731512 0.80 ALDH1A1 (0.50) CYP2C9ALDH1A1ALOX15MLYCDCYP2D6

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 3 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
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed