SCHEMBL25045554

SCHEMBL25045554

CSc1ncc(C#CCCCC(C)=O)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHRNB2 P17787 3/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ CHRNA2 Q15822 1/20 0.30

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
SCHEMBL22551290 0.88 FFAR1 (0.41) FFAR1FFAR4MMP2MMP12MEN1
SCHEMBL25046355 0.85 CHRNB2 (0.30) CHRNB2CHRNA4CHRNA2
SCHEMBL31126519 0.85 ALDH1A1 (0.34) FFAR1FFAR4MMP2MMP12MEN1
SCHEMBL22551289 0.85 ITGB1 (0.37) —
SCHEMBL24642861 0.79 SMN1; SMN2 (0.36) MMP2MEN1KMT2A
SCHEMBL25045553 0.78 FFAR1 (0.32) FFAR1FFAR4MMP2MMP12CHRNB2
SCHEMBL23193159 0.78 FFAR1 (0.32) FFAR1FFAR4MMP2MMP12
SCHEMBL25432699 0.77 MMP2 (0.39) MMP2
SCHEMBL24642551 0.76 ACACB (0.33) FFAR1FFAR4MMP2MMP12
SCHEMBL31324801 0.76 FFAR1 (0.36) FFAR1FFAR4MMP2MMP12CHRNB2

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
WO-2023016488-A1 MICROTUBULE INHIBITOR-BASED ANTIBODY-DRUG CONJUGATE 昆山新蕴达生物科技有限公司 2023-02-16 — — WO disclosed
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