SCHEMBL10652176

SCHEMBL10652176

NC(=O)C(CCCCCOc1ccccc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.52
PPARA Q07869 3/20 0.52
KCNA3 P22001 1/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
PARP10 Q53GL7 1/20 0.47
CTRC Q99895 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL10655927 0.92 HDAC1 (0.55) PPARGPPARAHDAC1HDAC2HDAC3
SCHEMBL4788224 0.87 PPARG (0.48) PPARGPPARA
SCHEMBL14159647 0.83 CTRC (0.53) PPARGPPARACTRCPTGESALOX5
SCHEMBL11345159 0.81 PPARG (0.70) PPARGPPARAKCNA3PARP10CTRC
SCHEMBL9614177 0.80 PPARG (0.61) PPARGPPARACTRCTDP1PTGES
SCHEMBL11019359 0.79 PPARG (0.62) PPARGPPARAPARP10
SCHEMBL7890153 0.79 PPARG (0.45) PPARGPPARA
SCHEMBL28058776 0.79 PPARG (0.42) PPARGPPARACTRCTDP1PTGES
SCHEMBL9613979 0.78 PPARG (0.63) PPARGPPARACTRCTDP1PTGES
SCHEMBL5508343 0.77 TDP1 (0.61) PPARGPPARAKCNA3HDAC1HDAC2

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-0161550-B1 PROCESS FOR PRODUCING AN ALIPHATIC ISOCYANATE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-01-20 EP disclosed
US-4587056-A CARBONYLATION, OXIDATION, CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-05-06 US disclosed
EP-0161550-A1 Process for producing an aliphatic isocyanate Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-21 EP disclosed