SCHEMBL8997134

SCHEMBL8997134

CCC(CO)c1cccc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 2/20 0.42
HPGD P15428 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
GABRA1 P14867 4/20 0.38
GABRB2 P47870 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 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
SCHEMBL9153685 0.88 GABRA1 (0.48) ALDH1A1TRPA1HPGDCYP1A2CYP3A4
SCHEMBL27277950 0.82 ESR1 (0.43) ALDH1A1TRPA1CYP1A2CYP3A4CYP2C9
SCHEMBL9482716 0.80 ALDH1A1 (0.54) ALDH1A1TRPA1HPGDCYP1A2CYP3A4
SCHEMBL9846232 0.78 ALDH1A1 (0.39) ALDH1A1TRPA1HPGDCYP1A2CYP3A4
SCHEMBL9325675 0.78 GABRA1 (0.54) ALDH1A1HPGDCYP1A2CYP3A4KMT2A
SCHEMBL771406 0.77 TSHR (0.59) ALDH1A1TRPA1HPGDCYP1A2CYP3A4
SCHEMBL9460757 0.76 ALDH1A1 (0.48) ALDH1A1TRPA1HPGDCYP1A2CYP3A4
SCHEMBL3568608 0.76 ALDH1A1 (0.48) ALDH1A1TRPA1HPGDCYP1A2CYP3A4
SCHEMBL9495194 0.74 ALDH1A1 (0.56) ALDH1A1TRPA1HPGDCYP1A2CYP3A4
SCHEMBL5595989 0.74 ALDH1A1 (0.56) ALDH1A1TRPA1HPGDCYP1A2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530442-B1 Process for producing a hydroxy-substituted poly (phenylene ether) resin MITSUBISHI CHEM CORP (JP) 1996-09-04 EP claimed
US-5266673-A Compatibilizer for polymer blends and alloys MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-30 US claimed
EP-0530442-A1 Process for producing a hydroxy-substituted poly (phenylene ether) resin MITSUBISHI CHEMICAL CORPORATION (JP) 1993-03-10 EP claimed
EP-0530442-B1 Process for producing a hydroxy-substituted poly (phenylene ether) resin MITSUBISHI CHEM CORP (JP) 1996-09-04 EP disclosed
US-5266673-A Compatibilizer for polymer blends and alloys MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-30 US disclosed
EP-0530442-A1 Process for producing a hydroxy-substituted poly (phenylene ether) resin MITSUBISHI CHEMICAL CORPORATION (JP) 1993-03-10 EP disclosed
EP-0517017-A2 Thermoplastic resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 1992-12-09 EP disclosed