SCHEMBL28625545

SCHEMBL28625545

C=CC(=O)OC(COCc1cccc(C)c1)COCc1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
IDO1 P14902 2/20 0.42
POLB P06746 1/20 0.39
MAOA P21397 1/20 0.39
CTSB P07858 6/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL19944360 0.83 SLC1A1 (0.46)
SCHEMBL1592402 0.79 MMP2 (0.51) MAOBIDO1POLBMAOAMMP2
SCHEMBL19944373 0.78 HPGD (0.47) POLBLMNA
SCHEMBL19545840 0.73 TACR1 (0.51) MAOBIDO1POLBCTSBCTSL
SCHEMBL30640943 0.73 THRB (0.46) ALDH1A1LMNATHRB
SCHEMBL30640944 0.73 THRB (0.46) ALDH1A1LMNATHRB
SCHEMBL18492301 0.73 HPGD (0.44) POLBLMNA
SCHEMBL11929199 0.72 IDO1 (0.56) MAOBIDO1MAOAALDH1A1LMNA
SCHEMBL18513854 0.72 KDM4E (0.41) POLBALDH1A1LMNAMAPT
SCHEMBL19944469 0.71 MAPK1 (0.48) POLBALDH1A1

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-109641831-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2021-09-10 CN disclosed