Cyclohexane

Cyclohexane

SCHEMBL4564741

C1CCCCC1.Cc1ccc(C(=O)O)c(C(=O)O)c1C

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAAO P46952 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.39
METAP2 P50579 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 2/20 0.39
AKR1C3 P42330 2/20 0.39
MEN1 O00255 1/20 0.39
AKR1B10 O60218 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
LMNA P02545 1/20 0.39
MPO P05164 1/20 0.39
CHRM1 P11229 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL29400914 0.94 CYP1A2 (0.44) HAAOALDH1A1CYP1A2METAP2CYP3A4
SCHEMBL139141 0.94 CYP1A2 (0.44) HAAOALDH1A1CYP1A2METAP2CYP3A4
Benzene SCHEMBL28845411 0.92 ALDH1A1 (0.46) HAAOALDH1A1CYP1A2METAP2CYP3A4
Hydrochloric Acid SCHEMBL302925 0.92 HAAO (0.42) HAAOALDH1A1CYP1A2METAP2CYP3A4
Phthalic Acid SCHEMBL30598815 0.86 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2C9KMT2A
Dimethyl Sulfoxide SCHEMBL15967388 0.85 METAP2 (0.40) HAAOALDH1A1CYP1A2METAP2CYP3A4
Cyclohexane SCHEMBL9558619 0.84 HAAO (0.40) HAAOALDH1A1CYP1A2CYP3A4CYP2C9
Benzoic Acid SCHEMBL11318094 0.83 NAPRT (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL6334298 0.81 CYP1A2 (0.48) HAAOALDH1A1CYP1A2KMT2AAKR1C3
Methylpyrrolidone SCHEMBL7756996 0.80 BRD4 (0.47) HAAOALDH1A1CYP1A2CYP3A4CYP2C9

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
US-8295032-B2 Solid electrolytic capacitor and manufacturing method thereof NEC TOKIN CORPORATION (JP) 2012-10-23 US claimed
US-8295032-B2 Solid electrolytic capacitor and manufacturing method thereof NEC TOKIN CORPORATION (JP) 2012-10-23 US disclosed
US-20090147446-A1 Solid electrolytic capacitor and manufacturing method thereof NEC TOKIN CORPORATION (JP) 2009-06-11 US disclosed