SCHEMBL28344582

SCHEMBL28344582

O=C(OC1CCC1)c1ccc(OC2CCC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 3/20 0.39
▸ MMP12 P39900 3/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PDE4A P27815 4/20 0.37
▸ PDE4B Q07343 4/20 0.37
▸ PDE4C Q08493 4/20 0.37
▸ PDE4D Q08499 4/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SERPINE1 P05121 2/20 0.35
▸ STS P08842 1/20 0.35
▸ SCN1A P35498 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
SCHEMBL24974632 0.84 CES2 (0.50) MMP9MMP12MMP1MMP2MEN1
SCHEMBL22296699 0.77 SLC6A2 (0.44) PDE4APDE4BPDE4CPDE4DPARP10
SCHEMBL5332916 0.74 MEN1 (0.53) MMP9MMP12MMP1MMP2MEN1
SCHEMBL24682363 0.74 PDE4D (0.35) PDE4APDE4BPDE4CPDE4DPARP10
SCHEMBL8423858 0.73 MEN1 (0.52) MMP9MMP12MMP1MMP2MEN1
Ammonia Solution, Strong SCHEMBL27808056 0.73 MEN1 (0.52) MMP9MMP12MMP1MMP2MEN1
SCHEMBL16717449 0.72 PTGS1 (0.42) MMP9MMP12MMP1MMP2MEN1
SCHEMBL20944544 0.72 KDM4E (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL14922550 0.72 MAPT (0.40) MEN1KMT2A
SCHEMBL30744993 0.72 KDM4E (0.49) MEN1KMT2APDE4APDE4BPDE4C

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-110627770-A Tetrahydroquinoline compositions as BET bromodomain inhibitors 福马疗法公司 2019-12-31 — — CN disclosed
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