SCHEMBL28600680

SCHEMBL28600680

O=C(CCCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MAPK1 P28482 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
EPHX2 P34913 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
NOTUM Q6P988 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
CDC25B P30305 1/20 0.49

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
SCHEMBL27453585 1.00 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL20624816 1.00 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL10621313 1.00 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL118235 1.00 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL2926392 1.00 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL10621326 1.00 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL28434793 1.00 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL4941879 1.00 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL18673 0.98 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL3832861 0.96 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1EPHX2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528725-A Preparation method of fatty diacid mono-tert-butyl ester and intermediate compound thereof 上海医药工业研究院有限公司 2025-02-28 CN disclosed
CN-118851946-A Method for preparing long fatty chain diacid derivative and application thereof 广东东阳光药业股份有限公司 2024-10-29 CN disclosed
CN-113045473-A Process for preparing long aliphatic chain diacid derivatives and their use 广东东阳光药业有限公司 2021-06-29 CN disclosed