SCHEMBL30599264

SCHEMBL30599264

CCc1ccc(CCOc2ccc(C=O)cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
PPARG P37231 4/20 0.56
CYP3A4 P08684 1/20 0.55
RXRA P19793 1/20 0.55
HRH3 Q9Y5N1 2/20 0.43
MCHR1 Q99705 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3258559 1.00 HPGD (0.64) HPGDALDH1A1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL5168951 0.99 HPGD (0.62) HPGDALDH1A1SMN1; SMN2LMNAMAPT
Oxalic Acid SCHEMBL5167729 0.94 HPGD (0.57) HPGDALDH1A1SMN1; SMN2LMNAMAPT
Fumaric Acid SCHEMBL5168906 0.92 HPGD (0.54) HPGDALDH1A1SMN1; SMN2LMNAMAPT
Trifluoroacetic Acid SCHEMBL5180863 0.89 HPGD (0.52) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7905734 0.83 PPARG (0.54) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7905732 0.83 PPARG (0.54) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5167466 0.83 KDM4E (0.49) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL18015059 0.82 PPARG (0.57) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL10699030 0.82 PPARG (0.57) ALDH1A1SMN1; SMN2PPARGCYP3A4RXRA

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
CN-116496207-A Method for green synthesis of 4- [2- (5-ethyl-2-pyridyl) ethoxy ] benzaldehyde 上海北卡医药技术有限公司 2023-07-28 CN claimed
CN-116496207-A Method for green synthesis of 4- [2- (5-ethyl-2-pyridyl) ethoxy ] benzaldehyde 上海北卡医药技术有限公司 2023-07-28 CN disclosed
CN-116496207-A Method for green synthesis of 4- [2- (5-ethyl-2-pyridyl) ethoxy ] benzaldehyde 上海北卡医药技术有限公司 2023-07-28 CN disclosed
CN-116496207-A Method for green synthesis of 4- [2- (5-ethyl-2-pyridyl) ethoxy ] benzaldehyde 上海北卡医药技术有限公司 2023-07-28 CN disclosed