SCHEMBL29516709

SCHEMBL29516709

O=C(O)[C@H]1COc2ccc(O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
TP53 P04637 2/20 0.43
DRD3 P35462 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TTR P02766 1/20 0.42
MAOB P27338 2/20 0.41
ALOX15B O15296 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
FFAR2 O15552 1/20 0.39
ROCK2 O75116 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL29516502 1.00 CYP4F2 (0.45) CYP4F2CYP4A11TP53DRD3LMNA
SCHEMBL24239391 1.00 CYP4F2 (0.45) CYP4F2CYP4A11TP53DRD3LMNA
SCHEMBL24229002 1.00 CYP4F2 (0.45) CYP4F2CYP4A11TP53DRD3LMNA
SCHEMBL24228942 1.00 CYP4F2 (0.45) CYP4F2CYP4A11TP53DRD3LMNA
SCHEMBL545604 1.00 CYP4F2 (0.45) CYP4F2CYP4A11TP53DRD3LMNA
SCHEMBL537418 0.86 ROCK2 (0.51) CYP4F2CYP4A11TP53LMNAMAOB
SCHEMBL1519508 0.83 ROCK2 (0.51) CYP4F2CYP4A11TP53LMNAROCK2
SCHEMBL1519430 0.83 MALT1 (0.42) CYP4F2CYP4A11TP53LMNAMAOB
SCHEMBL1519562 0.83 ROCK2 (0.51) CYP4F2CYP4A11TP53LMNAMAOB
SCHEMBL27927241 0.83 TDP1 (0.55) CYP4F2CYP4A11TP53LMNAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348465-A Chiral synthesis of fused bicyclic RAF inhibitors 爵士制药爱尔兰有限公司 2023-06-27 CN claimed
EP-4188923-A1 CHIRAL SYNTHESIS OF FUSED BICYCLIC RAF INHIBITORS Jazz Pharmaceuticals Ireland Limited (IE) 2023-06-07 EP claimed
CN-114921508-B Biocatalytic preparation method of (R) -6-hydroxy chroman-3-carboxylic acid 常熟药明康德新药开发有限公司 2022-10-11 CN claimed
CN-114921508-A Biocatalytic preparation method of (R) -6-hydroxy chroman-3-carboxylic acid 常熟药明康德新药开发有限公司 2022-08-19 CN claimed
WO-2022023450-A1 CHIRAL SYNTHESIS OF FUSED BICYCLIC RAF INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 WO claimed
CN-116348465-A Chiral synthesis of fused bicyclic RAF inhibitors 爵士制药爱尔兰有限公司 2023-06-27 CN disclosed
EP-4188923-A1 CHIRAL SYNTHESIS OF FUSED BICYCLIC RAF INHIBITORS Jazz Pharmaceuticals Ireland Limited (IE) 2023-06-07 EP disclosed
CN-114921508-B Biocatalytic preparation method of (R) -6-hydroxy chroman-3-carboxylic acid 常熟药明康德新药开发有限公司 2022-10-11 CN disclosed
CN-114921508-B Biocatalytic preparation method of (R) -6-hydroxy chroman-3-carboxylic acid 常熟药明康德新药开发有限公司 2022-10-11 CN disclosed
CN-114921508-B Biocatalytic preparation method of (R) -6-hydroxy chroman-3-carboxylic acid 常熟药明康德新药开发有限公司 2022-10-11 CN disclosed
CN-114921508-A Biocatalytic preparation method of (R) -6-hydroxy chroman-3-carboxylic acid 常熟药明康德新药开发有限公司 2022-08-19 CN disclosed
CN-114921508-A Biocatalytic preparation method of (R) -6-hydroxy chroman-3-carboxylic acid 常熟药明康德新药开发有限公司 2022-08-19 CN disclosed
CN-114921508-A Biocatalytic preparation method of (R) -6-hydroxy chroman-3-carboxylic acid 常熟药明康德新药开发有限公司 2022-08-19 CN disclosed
WO-2022023450-A1 CHIRAL SYNTHESIS OF FUSED BICYCLIC RAF INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 WO disclosed