SCHEMBL29037847

SCHEMBL29037847

CON=C(C(=O)O)c1ccccc1CO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.47
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP4 P15090 1/20 0.35

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
SCHEMBL29037844 1.00 HIF1A (0.47) HIF1AHPGDLMNAGAAL3MBTL1
SCHEMBL30504782 0.98 HIF1A (0.46) HIF1AHPGDLMNAGAAL3MBTL1
SCHEMBL29037904 0.98 HIF1A (0.46) HIF1AHPGDLMNAGAAL3MBTL1
SCHEMBL7457790 0.86 HIF1A (0.46) HIF1AHPGDLMNAALDH1A1CYP2C9
SCHEMBL3129216 0.86 HIF1A (0.46) HIF1AHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL25389981 0.86 HIF1A (0.52) HIF1AHPGDLMNATP53ALDH1A1
SCHEMBL10433828 0.86 HIF1A (0.45) HIF1AHPGDLMNAGAAL3MBTL1
SCHEMBL3129211 0.86 HIF1A (0.46) HIF1AHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL8078567 0.86 HIF1A (0.45) HIF1AHPGDLMNAGAAL3MBTL1
SCHEMBL3459416 0.86 HIF1A (0.46) HIF1AHPGDLMNAALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462650-A Preparation method of 3-ketone-4- (methoxyimino) isochroman 河北诚信集团有限公司 2023-07-21 CN disclosed