SCHEMBL7912664

SCHEMBL7912664

C=CCC1=C(CC=C)C(=O)c2cc(C)c(C)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.36
POR P16435 3/20 0.36
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
MAPT P10636 1/20 0.31
GABRA1 P14867 1/20 0.31
AKR1B1 P15121 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL8942748 0.74 CASP3 (0.48) KDM4EKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL3186176 0.74 CYP3A4 (0.35) POLB
SCHEMBL7912180 0.73 MAOA (0.59) NQO1PORKDM4ESMN1; SMN2HTT
SCHEMBL27904725 0.71 CYP3A4 (0.33)
SCHEMBL3420118 0.71 NQO1 (0.50) NQO1PORKDM4EKMT2AMEN1
SCHEMBL14894567 0.71 MAPT (0.52) KDM4ESMN1; SMN2HTTPKMALDH1A1
SCHEMBL3331894 0.69 MEN1 (0.40) KDM4EGAAGLAKMT2AMEN1
SCHEMBL9751019 0.69 NQO1 (0.54) NQO1PORKDM4EKMT2AMEN1
SCHEMBL10421261 0.69 NQO1 (0.48) NQO1PORKMT2AMEN1SMN1; SMN2
SCHEMBL8759814 0.68 MAPT (0.54) KDM4EKMT2AMEN1HPGDSMN1; SMN2

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
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed