SCHEMBL9179079

SCHEMBL9179079

CCC(C)(CCC(C)(CC)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR3 O14843 2/20 0.35
GGT1 P19440 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
ACLY P53396 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33

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
SCHEMBL20503836 0.90 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL9177238 0.90 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL7218060 0.90 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL3372717 0.89 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL8616423 0.89 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL8615670 0.89 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL163170 0.89 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL9181646 0.89 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL9177244 0.88 TSHR (0.41) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL184957 0.88

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-0501439-B1 Electrolyte for electrolytic capacitor and electrolytic capacitor using the same MITSUBISHI PETROCHEMICAL CO (JP) 1995-07-12 EP disclosed
US-5301087-A Electrolyte for electrolytic capacitor and electrolytic capacitor using the same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-04-05 US disclosed
EP-0501439-A1 Electrolyte for electrolytic capacitor and electrolytic capacitor using the same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-09-02 EP disclosed