SCHEMBL7272985

SCHEMBL7272985

CC(C)(C)OC(=O)NC(C(=O)ON1C(=O)CCC1=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRB1 P18505 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ S1PR3 Q99500 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PPIA P62937 1/20 0.36

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
SCHEMBL27334033 1.00 GABRB1 (0.44) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL2484525 0.87 CTSK (0.52) GABRB1GABRB2CTSSCTSKS1PR3
SCHEMBL356559 0.87 CTSK (0.52) GABRB1GABRB2CTSSCTSKS1PR3
SCHEMBL8939488 0.81 CTSS (0.59) CTSSCTSKCTSBPPIA
SCHEMBL9952163 0.79 GABRB1 (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL31230469 0.79 GABRB1 (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL11585053 0.79 GABRB1 (0.56) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL7282487 0.78 HRH2 (0.45) MMP9
SCHEMBL13715427 0.74 MMP9 (0.59) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL2580872 0.74 PREP (0.39) CTSSCTSKCTSBALDH1A1CYP2D6

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
US-H1638-H CYCLIC HEXAPEPTIDE FURUTA TAKAHISA (JP) 1997-03-04 — — US disclosed
EP-0462531-B1 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 — — EP disclosed
EP-0729974-A1 Cyclic polypeptide with antibiotic activity and a process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-04 — — EP disclosed
US-5376634-A Microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 — — US disclosed
EP-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 — — EP disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 — — EP disclosed
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