SCHEMBL30730345

SCHEMBL30730345

CCOC(=O)C(F)(F)c1ccc(C2=CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ MTOR P42345 2/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ACSS2 Q9NR19 1/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ FABP7 O15540 1/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CRHBP P24387 1/20 0.33

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
SCHEMBL13199166 0.79 TSHR (0.46) TSHRKDM4EPOLBNPSR1ACSS2
SCHEMBL13199136 0.78 TSHR (0.49) TSHRKDM4EPOLBNPSR1ACSS2
SCHEMBL30730411 0.75 LIPE (0.46) PIK3CAPIK3CDBRD4TSHRKDM4E
SCHEMBL1171941 0.74 ACSS2 (0.48) POLBNPSR1ACSS2MAPT
SCHEMBL16595716 0.74 MAPT (0.47) TSHRKDM4ENPSR1MEN1MAPT
SCHEMBL5003336 0.73 NPSR1 (0.47) TSHRPOLBNPSR1ACSS2MAPT
SCHEMBL17583195 0.73 NPSR1 (0.51) TSHRKDM4EPOLBNPSR1ACSS2
SCHEMBL12014193 0.73 LMNA (0.45) TSHRKDM4ENPSR1ACSS2MEN1
SCHEMBL2396473 0.72 MAPT (0.50) TSHRKDM4ENPSR1ACSS2MEN1
SCHEMBL31306426 0.72 CA12 (0.55) TSHRPOLBACSS2MAPTKMT2A

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-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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