SCHEMBL21231838

SCHEMBL21231838

NNC(CCCCNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.61
▸ SIRT2 Q8IXJ6 1/20 0.59
▸ MMP2 P08253 3/20 0.58
▸ MMP9 P14780 3/20 0.58
▸ HTT P42858 1/20 0.58
▸ DPP8 Q6V1X1 1/20 0.56
▸ DPP7 Q9UHL4 1/20 0.56
▸ TGM2 P21980 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ ANPEP P15144 1/20 0.54
▸ CPB1 P15086 1/20 0.54
▸ CPB2 Q96IY4 1/20 0.54
▸ MMP1 P03956 1/20 0.53
▸ MMP3 P08254 1/20 0.53
▸ MMP7 P09237 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL22674651 0.89 FOLH1 (0.60) FOLH1SIRT2MMP2MMP9HTT
SCHEMBL7318212 0.87 FOLH1 (0.58) FOLH1SIRT2MMP2MMP9HTT
SCHEMBL7311020 0.87 FOLH1 (0.58) FOLH1SIRT2MMP2MMP9HTT
SCHEMBL23505268 0.86 FOLH1 (0.60) FOLH1SIRT2MMP2MMP9HTT
SCHEMBL7316398 0.85 SIRT2 (0.56) FOLH1SIRT2MMP2MMP9HTT
SCHEMBL4177378 0.85 DPP8 (0.68) FOLH1MMP2MMP9HTTDPP8
SCHEMBL4177384 0.85 DPP8 (0.68) FOLH1MMP2MMP9HTTDPP8
SCHEMBL8120405 0.84 HTT (0.56) FOLH1SIRT2MMP2MMP9HTT
SCHEMBL9738257 0.84 FOLH1 (0.61) FOLH1SIRT2MMP2MMP9HTT
SCHEMBL9738268 0.84 FOLH1 (0.61) FOLH1SIRT2MMP2MMP9HTT

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-2019149781-A1 MODIFIED LIPIDATED RELAXIN B CHAIN PEPTIDES AND THEIR THERAPEUTIC USE SANOFI (FR) 2019-08-08 — — WO disclosed
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