SCHEMBL4564610

SCHEMBL4564610

C=CCc1cc(O)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
GAA P10253 3/20 0.45
POLB P06746 2/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
ALOX5 P09917 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
GABRB1 P18505 1/20 0.40
RXRA P19793 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
Sulfuric Acid SCHEMBL15238310 0.91 POLB (0.49) GABRA1GABRB2GAAPOLBESR1
SCHEMBL11115074 0.84 GABRA1 (0.46) GABRA1GABRB2GAAPOLBESR1
SCHEMBL71514 0.83 GABRA1 (0.70) GABRA1GABRB2GAAPOLBESR1
SCHEMBL30893166 0.83 GABRA1 (0.70) GABRA1GABRB2GAAPOLBESR1
2-Allylphenol SCHEMBL28249870 0.81 MAPT (0.48) GABRA1GABRB2GAAPOLBESR2
SCHEMBL4446113 0.81 GABRA1 (0.50) GABRA1GABRB2GAAPOLBESR1
SCHEMBL2296133 0.81 CYP3A4 (0.38) GAAALOX5MEN1MAPTKMT2A
SCHEMBL17926271 0.80 CYP3A4 (0.40) GAAESR2CYP3A4TSHRRECQL
SCHEMBL5931905 0.79 GABRA1 (0.48) GABRA1GABRB2GAAPOLBESR1
SCHEMBL30976143 0.79 TAAR1 (0.50) GABRA1GABRB2GAAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034431-A2 CONTROLLED-RELEASE DOSAGE FORMS FOR VARENICLINE PFIZER INC. (US) 2009-03-19 WO claimed
EP-0635255-B1 Process for the stabilisation and reduction of co2 permeability of bicarbonate solution containers made from plasticised PVC HOSPAL AG (CH) 1999-07-28 EP claimed
EP-0539682-B1 Agent for preserving wood and woodey materials, process for the preparation and use thereof DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-12-07 EP claimed
CN-105985845-B Lubricating oil composition for construction machinery 雪佛龙日本有限公司 2021-11-30 CN disclosed
WO-2020217706-A1 RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND PREPREG AND FIBER-REINFORCED COMPOSITE MATERIAL OBTAINED USING SAME 堺化学工業株式会社 2020-10-29 WO disclosed
CN-111278896-A Thermosetting resin composition and method for producing same 堺化学工业株式会社 2020-06-12 CN disclosed
WO-2009034431-A2 CONTROLLED-RELEASE DOSAGE FORMS FOR VARENICLINE PFIZER INC. (US) 2009-03-19 WO disclosed
EP-0635255-B1 Process for the stabilisation and reduction of co2 permeability of bicarbonate solution containers made from plasticised PVC HOSPAL AG (CH) 1999-07-28 EP disclosed
EP-0635255-A1 Process for the stabilisation and reduction of co2 permeability of bicarbonate solution containers made from plasticised PVC HOSPAL AG (CH) 1995-01-25 EP disclosed