SCHEMBL29639652

SCHEMBL29639652

O=C(O)c1cc(OC(F)(F)F)cc(C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
P2RY14 Q15391 1/20 0.40
KMO O15229 1/20 0.40
WDR5 P61964 1/20 0.39
EPHX2 P34913 4/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
DHODH Q02127 1/20 0.38
FAAH O00519 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
PDE5A O76074 1/20 0.37
NOTUM Q6P988 1/20 0.36
MGLL Q99685 1/20 0.36
PPARA Q07869 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36

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
SCHEMBL21466186 1.00 AURKA (0.44) AURKATPX2P2RY14KMOWDR5
SCHEMBL29672155 0.85 MRGPRX4 (0.41) EPHX2MRGPRX4FAAHTAS1R3TAS1R1
SCHEMBL22926204 0.85 MRGPRX4 (0.41) EPHX2MRGPRX4FAAHTAS1R3TAS1R1
SCHEMBL475754 0.81 AURKA (0.56) AURKATPX2WDR5EPHX2MRGPRX4
SCHEMBL31550001 0.81 AURKA (0.56) AURKATPX2WDR5EPHX2MRGPRX4
SCHEMBL25209013 0.81 L3MBTL1 (0.41) KMOMRGPRX4
SCHEMBL30043352 0.80 KMO (0.36) P2RY14KMOMRGPRX4MGLL
SCHEMBL25185919 0.80 KMO (0.36) P2RY14KMOMRGPRX4MGLL
SCHEMBL4392929 0.79 KMO (0.55) KMOMRGPRX4
SCHEMBL2952063 0.79 RXRA (0.45) KMOMRGPRX4PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 CN claimed
CN-116925043-A Heteroaryl-triazole compounds 拜耳公司 2023-10-24 CN claimed
CN-116969925-B Heteroaryl-triazole compounds BAYER AG (DE) 2026-05-26 CN disclosed
CN-115996639-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2025-06-13 CN disclosed
CN-118561817-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-30 CN disclosed
CN-118496198-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-16 CN disclosed
CN-117597344-A Alkylamide substituted cyclic imidazoles and their use as pesticides 拜耳公司 2024-02-23 CN disclosed
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 CN disclosed
CN-116925043-A Heteroaryl-triazole compounds 拜耳公司 2023-10-24 CN disclosed
CN-115996639-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2023-04-21 CN disclosed
CN-114761402-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-07-15 CN disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN disclosed