SCHEMBL18615947

SCHEMBL18615947

CS(=O)(=O)CCCOc1ccc(-c2ccc3cc(C(=O)NC4(C(=O)NC5(C#N)CC5)CCC(F)(F)CC4)oc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CTSL P07711 7/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CTSK P43235 9/20 0.33
▸ CTSS P25774 8/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ UTS2R Q9UKP6 1/20 0.32
▸ CTSB P07858 4/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL18616018 0.94 LMNA (0.37) LMNAGAAALDH1A1CTSLCYP2D6
SCHEMBL18615975 0.92 CTSL (0.35) LMNAGAAALDH1A1CTSLCYP2D6
SCHEMBL20341794 0.89 CTSL (0.34) LMNAGAAALDH1A1CTSLCTSK
SCHEMBL18616629 0.88 CTSL (0.37) CTSLCTSKCTSSCTSB
SCHEMBL23810244 0.88 LMNA (0.35) LMNAGAAALDH1A1CTSLCTSK
SCHEMBL20341792 0.87 CTSL (0.36) CTSLCYP2D6CTSKCTSSHPGD
SCHEMBL18615942 0.85 CTSK (0.41) CTSLCTSKCTSSCTSB
SCHEMBL18615946 0.85 CACNA1H (0.40) CTSLCYP2D6CTSKCTSS
SCHEMBL23810230 0.85 CTSL (0.34) LMNAGAACTSLCYP2D6CTSK
SCHEMBL18615974 0.84 NAMPT (0.33) CTSLCYP2D6CTSKCTSS

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
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 — — EP disclosed
WO-2017036357-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2017-03-09 — — WO disclosed
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