SCHEMBL6895810

SCHEMBL6895810

CCCCc1c(N)cccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49
MMP2 P08253 1/20 0.49
HSD17B10 Q99714 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.44

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
SCHEMBL8818591 0.94 ALDH1A1 (0.49) MMP2HSD17B10ALDH1A1KDM4EPOLB
SCHEMBL5135888 0.90 MMP2 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL679426 0.88 TSHR (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6258469 0.87 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27976077 0.86 TSHR (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6859420 0.83 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27778033 0.83 PLK1 (0.46) HSD17B10ALDH1A1KDM4EPOLBNPC1
SCHEMBL1126873 0.82 MMP2 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27297604 0.82 PLK1 (0.50) TSHRCA12CA9PLK1RARB
SCHEMBL10903924 0.82 CYP3A4 (0.48) HSD17B10ALDH1A1KDM4EPOLBTSHR

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
EP-1171519-B1 POLYACETAL RESINS WITH REDUCED FORMALDEHYDE ODOR DU PONT (US) 2004-02-11 EP claimed
CN-102844305-B Antibacterial isoquinolin-3-ylurea derivatives ACTELION PHARMACEUTICALS LTD 2014-07-02 CN disclosed
CN-102844305-A Antibacterial isoquinolin-3-ylurea derivatives ACTELION PHARMACEUTICALS LTD 2012-12-26 CN disclosed
CN-101125155-B Application of erigeron breviscapus methanol extracts in skin-whitening and speckle eliminating prevention UNIV SICHUAN 2010-11-10 CN disclosed
CN-100411622-C Melanogenesis inhibitors and whitening agents comprising ergosterol derivative and compositions containing ergosterol derivative SAKAMOTO BIO CO LTD (JP) 2008-08-20 CN disclosed
CN-101125155-A Application of erigeron breviscapus methanol extracts in skin-whitening and speckle eliminating prevention UNIV SICHUAN (CN) 2008-02-20 CN disclosed
CN-101010314-A Substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA SA (FR) 2007-08-01 CN disclosed
CN-1468086-A Melanogenesis inhibitor and whitening agent prepared from ergosterol derivative, and composition containing ergosterol derivative ƽ 2004-01-14 CN disclosed