SCHEMBL28959893

SCHEMBL28959893

COc1ccc(-c2ccccc2C(OCC(COC(=O)CCC(=O)O)NC(=O)C(F)(F)F)c2ccccc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.38
▸ MMP9 P14780 4/20 0.38
▸ MMP12 P39900 4/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ MME P08473 4/20 0.36
▸ MMEL1 Q495T6 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ CTSA P10619 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ ELANE P08246 1/20 0.33

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
SCHEMBL28959889 0.86 MEN1 (0.37) MMP2MMP9MMP12FFAR1MME
SCHEMBL20528865 0.79 MMP2 (0.42) MMP2MMP9MMP12MAPT
SCHEMBL20528868 0.79 MMP2 (0.42) MMP2MMP9MMP12MAPT
SCHEMBL21876310 0.62 MMP2 (0.37) MMP2MMP9MMP12FFAR4FFAR1
SCHEMBL23694457 0.62 CYP2D6 (0.59) FFAR4FFAR1MMEMMEL1MAPT
SCHEMBL9634012 0.60 PKM (0.49) —
SCHEMBL24469716 0.60 ALDH1A1 (0.50) SMN1; SMN2
SCHEMBL30585539 0.60 ALDH1A1 (0.50) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL761111 0.60 HDAC4 (0.48) FFAR4FFAR1SMN1; SMN2
SCHEMBL3386393 0.60 PTGS2 (0.50) FFAR4FFAR1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227372-A Nucleic acid for inhibiting expression of LPA in a cell 赛伦斯治疗有限责任公司 2021-08-06 — — CN disclosed
CN-111465694-A Nucleic acid for inhibiting expression of L PA in cells 赛伦斯治疗有限责任公司 2020-07-28 — — CN disclosed
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