SCHEMBL7271691

SCHEMBL7271691

CC(C)CCCC(C)CCOc1ccc2cc(C=O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 1/20 0.46
▸ FDPS P14324 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ GGPS1 O95749 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RARB P10826 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35

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
SCHEMBL7289924 0.90 ALDH1A1 (0.45) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL28512770 0.88 ALDH1A1 (0.53) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL11806698 0.88 ALDH1A1 (0.53) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL2859226 0.84 GSTO1 (0.40) GSTO1FDPSALDH1A1MAPTHPGD
SCHEMBL18837357 0.82 NPC1 (0.55) GSTO1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL20024685 0.82 TDP1 (0.49) FDPSALOX5TDP1MAPK1
SCHEMBL21424487 0.81 FDPS (0.54) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL1446758 0.81 FDPS (0.41) GSTO1FDPSALDH1A1MAPTHPGD
SCHEMBL27364677 0.80 RARB (0.49) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL7585689 0.80 GSTO1 (0.45) GSTO1FDPSMAPTLMNASMN1; SMN2

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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