SCHEMBL2002579

SCHEMBL2002579

C=Cc1c(CC)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.50
HMGB1 P09429 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
FOLH1 Q04609 2/20 0.42
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
KAT6A Q92794 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL28224448 0.85 CLCN2 (0.50) CLCN2HMGB1GABRA1GABRB2FOLH1
SCHEMBL27494534 0.84 ALDH1A1 (0.52) HMGB1ALDH1A1ALOX15KDM4EHPGD
SCHEMBL7111511 0.84 BID (0.52) ALOX15KDM4EHSD17B10CA12CA9
SCHEMBL16952548 0.83 GABRA1 (0.43) CLCN2GABRA1GABRB2ALDH1A1HTT
SCHEMBL16960470 0.80 GABRA1 (0.41) CLCN2GABRA1GABRB2ALDH1A1HTT
SCHEMBL1363486 0.80 GABRA1 (0.50) GABRA1GABRB2TDP1
SCHEMBL31338864 0.79 ALDH1A1 (0.55) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL357340 0.79 ALDH1A1 (0.55) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL16952121 0.79 GABRA1 (0.39) CLCN2GABRA1GABRB2HTTKMT2A
SCHEMBL27707631 0.78 CLCN2 (0.44) CLCN2HMGB1GABRA1GABRB2FOLH1

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
EP-2516426-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2012-10-31 EP disclosed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
EP-0126231-B1 VINYLPHENYL BENZIMIDAZOLE DERIVATIVES, THEIR POLYMERS, THEIR PREPARATION AND USE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-12-20 EP disclosed
US-4791183-A 1,2-DIHALOETHYL STYRENES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-12-13 US disclosed
US-4533678-A BENZIMIDAZOLYLSTYRENE POLYMERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0126231-A2 Vinylphenyl benzimidazole derivatives, their polymers, their preparation and use Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-11-28 EP disclosed