SCHEMBL17860865

SCHEMBL17860865

O=C(CCI)OC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.58
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.47
CYP19A1 P11511 3/20 0.45
EPHX1 P07099 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.35
MIF P14174 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
SCHEMBL21811774 0.88 NAAA (0.64) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL258780 0.87 NAAA (0.66) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL7568980 0.87 NAAA (0.66) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL31069913 0.87 NAAA (0.66) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL21811750 0.86 NAAA (0.67) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL14878989 0.86 NAAA (0.62) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL6974663 0.85 NAAA (0.59) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL207015 0.84 NAAA (0.64) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL17675641 0.83 NAAA (0.79) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL4570309 0.83 NAAA (0.72) NAAACYP2C19HTTCYP19A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed