SCHEMBL11337353

SCHEMBL11337353

NCCCC[C]1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
NFKB1 P19838 1/20 0.37
HRH1 P35367 2/20 0.37
MAOA P21397 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
DNM1 Q05193 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL2058355 0.92 SIGMAR1 (0.36) SIGMAR1NFKB1CA12CA1CA2
SCHEMBL10490386 0.86 CYP1A2 (0.33)
SCHEMBL493848 0.80
SCHEMBL5057407 0.77 CA12 (0.46) SIGMAR1CA12CA1CA2CA3
SCHEMBL7733439 0.74 MEN1 (0.42) LMNATSHRHRH3
SCHEMBL7738576 0.74 MEN1 (0.42) LMNATSHRHRH3
SCHEMBL7737858 0.74 MEN1 (0.42) LMNATSHRHRH3
SCHEMBL677747 0.74 MEN1 (0.42) LMNATSHRHRH3
SCHEMBL7733127 0.74 MEN1 (0.42) LMNATSHRHRH3
SCHEMBL9209604 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109666445-A A kind of resin combination includes its stack bus bar insulated rubber film and preparation method thereof 广东生益科技股份有限公司 2019-04-23 CN claimed
CN-104961666-B 2-mercaptoacetamide pleuromutilin derivatives, and preparation method and medical application thereof 南通大学 2017-04-12 CN claimed
CN-106456840-A Use of PEBA with long blocks for producing all or part of a catheter 阿肯马法国公司 2017-02-22 CN disclosed
CN-103858269-B Electrolyte solution for electrochemical devices 和光纯药工业株式会社 2017-02-15 CN disclosed
CN-104447450-B Cysteine amide-type pleuromutilin derivative and preparation method and medical usage 南通大学 2016-09-28 CN disclosed
US-4278762-A MEASURING HYDROLYSIS OF TRIPEPTIDE DERIVATIVES PENTAPHARM AG (CH) 1981-07-14 US disclosed
US-4190574-A CHROMOPHORE- OR FLUORESCENT-SUBSTITUTED OLIGOPEPTIDE PENTAPHARM A.G. (CH) 1980-02-26 US disclosed
US-4016042-A SYNTHETIC OLIGOPEPTIDE CONTAINING A CHROMOGENIC OR FLUORESCENT GROUP SPLIT OFF BY PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1977-04-05 US disclosed