SCHEMBL29756609

SCHEMBL29756609

COc1cc(C)c(C(=O)CCCCCCCCCBr)c(O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PAK1 Q13153 1/20 0.42
FASN P49327 1/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 3/20 0.37

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
SCHEMBL23534110 1.00 MEN1 (0.42) MEN1KMT2APAK1FASNPOLB
SCHEMBL7324438 0.90 MEN1 (0.42) MEN1KMT2APAK1FASNPOLB
SCHEMBL7411522 0.90 MEN1 (0.42) MEN1KMT2APAK1FASNPOLB
SCHEMBL29767827 0.89 POLB (0.41) MEN1KMT2APAK1POLBMAPK1
SCHEMBL23534095 0.89 POLB (0.41) MEN1KMT2APAK1POLBMAPK1
SCHEMBL10981871 0.88 MEN1 (0.43) MEN1KMT2APAK1FASNPOLB
SCHEMBL7411935 0.88 MEN1 (0.43) MEN1KMT2APAK1FASNPOLB
SCHEMBL7410602 0.88 POLB (0.49) MEN1KMT2APAK1FASNPOLB
SCHEMBL29756463 0.88 MEN1 (0.55) MEN1KMT2APAK1FASNMAPT
SCHEMBL28973812 0.88 MEN1 (0.43) MEN1KMT2APAK1FASNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901290-B Compounds for inhibiting angiogenesis factors and uses thereof 蔚山科学技术院 2024-09-03 CN disclosed
CN-117769559-A TRAP1 inhibitors and uses thereof 斯玛特恩生物公司 2024-03-26 CN disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
EP-4079309-A1 COMPOUND FOR INHIBITING ANGIOGENESIS FACTOR, AND USE THEREOF Ulsan National Institute of Science and Technology (UNIST) (KR) 2022-10-26 EP disclosed
CN-114901290-A Compound for inhibiting angiogenesis factor and application thereof 蔚山科学技术院 2022-08-12 CN disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed