SCHEMBL25007308

SCHEMBL25007308

CC(C)C(=O)C(F)(F)c1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 8/20 0.53
PTPN1 P18031 4/20 0.53
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
KIF11 P52732 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
CNR2 P34972 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40

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
SCHEMBL15113873 0.84 CYP1A2 (0.46) PTPN1CYP3A4
SCHEMBL25008119 0.79 SLC6A2 (0.41) KIF11CYP3A4
SCHEMBL28846037 0.77 PTPN5 (0.53) PTPN5PTPN1RXRARXRBKIF11
SCHEMBL30913970 0.77 PTPN1 (0.56) PTPN5PTPN1RXRARXRBKIF11
SCHEMBL30914070 0.74 ACSS2 (0.51) PTPN5PTPN1RXRARXRB
SCHEMBL1171983 0.74 ACSS2 (0.51) PTPN5PTPN1RXRARXRB
SCHEMBL25007307 0.73 PTPN5 (0.48) PTPN5PTPN1RXRARXRBKIF11
SCHEMBL30222787 0.73 PTPN5 (0.48) PTPN5PTPN1RXRARXRBKIF11
Urea SCHEMBL16246927 0.73 KIF11 (0.67) PTPN5PTPN1KIF11CNR2SLC1A3
SCHEMBL27560417 0.73 PTPN1 (0.59) PTPN5PTPN1KIF11CNR2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380920-A1 INHIBITORS FOR CORONAVIRUSES Cocrystal Pharma, Inc. (US) 2024-06-12 EP disclosed
CN-118103351-A Coronavirus inhibitors 共晶制药公司 2024-05-28 CN disclosed
WO-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed
WO-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed