SCHEMBL25347352

SCHEMBL25347352

COCCOc1cc(F)cc(F)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.36
PIK3CA P42336 1/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTPN1 P18031 1/20 0.34
NR4A2 P43354 1/20 0.34
DHODH Q02127 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
HTR2A P28223 1/20 0.33
GRM2 Q14416 1/20 0.33
MAP2K1 Q02750 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
SCHEMBL19667485 0.84 PLAU (0.41) KDM4EMAPK1RAB9ALTB4RLTB4R2
SCHEMBL25346070 0.84 GNRHR (0.35) HTTKDM4EHPGDKMT2APIK3CA
SCHEMBL25346636 0.81 KDM4E (0.34) HTTKDM4EHPGDKMT2AALDH1A1
SCHEMBL18700920 0.80 HTT (0.49) HTTKDM4EHPGDKMT2ALMNA
SCHEMBL4992797 0.78 PTPN1 (0.50) KDM4EHPGDKMT2ALMNARAB9A
SCHEMBL25345347 0.75 ALDH1A1 (0.49) HTTKDM4EHPGDKMT2ARAB9A
SCHEMBL2929463 0.75 HTT (0.40) HTTKDM4EHPGDKMT2ALMNA
SCHEMBL25974441 0.75 RET (0.34) HTTKDM4EHPGDKMT2AALDH1A1
SCHEMBL5468164 0.74 CES2 (0.36) HTTKDM4EHPGDKMT2APLK1
SCHEMBL25345212 0.73 FDPS (0.38) HTTKDM4EHPGDKMT2ALMNA

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-4476204-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS Theras, Inc. (US) 2024-12-18 EP disclosed
CN-118946555-A Compounds having T-structures formed by at least four rings for use in the treatment of cancer and other indications 瑟拉斯有限公司 2024-11-12 CN disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed