SCHEMBL28091153

SCHEMBL28091153

CCCCC(c1ccccc1)C(C)(C)OC(=O)NN

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.46
POLB P06746 1/20 0.43
CTSL P07711 3/20 0.41
CTSS P25774 2/20 0.41
AOC3 Q16853 1/20 0.41
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
CTSB P07858 2/20 0.40
CTSH P09668 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27535996 0.76 CTSD (0.43) CTSKCTSSAOC3
SCHEMBL705080 0.74 CTSK (0.40) CTSKPOLBCTSLCTSSAOC3
SCHEMBL27664743 0.71 RIPK1 (0.42) CTSKCTSSSMN1; SMN2
Hydrochloric Acid SCHEMBL11127650 0.70 POLB (0.40) CTSKPOLBAOC3
Water SCHEMBL11427319 0.70 POLB (0.40) CTSKPOLBAOC3
SCHEMBL28017241 0.70 GRIK1 (0.43) CTSKPOLBCTSS
SCHEMBL27766264 0.70 CYP1A2 (0.44) CTSKPOLBCTSSLMNASMN1; SMN2
SCHEMBL16468978 0.70 MMP2 (0.44) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL8322227 0.69 POLB (0.39) CTSKPOLBAOC3
SCHEMBL8461030 0.69 POLB (0.42) CTSKPOLBCTSLCTSSAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669749-B Antiviral drugs and composition 赫斯(西安)生物科技有限公司 2018-03-30 CN claimed
CN-105884826-B Antiviral drugs 赫斯(西安)生物科技有限公司 2018-01-19 CN claimed
CN-105884826-A Antiviral medicine 赫斯(西安)生物科技有限公司 2016-08-24 CN claimed
CN-108997421-A A kind of antiviral drugs and its pharmaceutical composition 成都创谱生物科技有限公司 2018-12-14 CN disclosed
CN-105669749-B Antiviral drugs and composition 赫斯(西安)生物科技有限公司 2018-03-30 CN disclosed
CN-105884826-B Antiviral drugs 赫斯(西安)生物科技有限公司 2018-01-19 CN disclosed