SCHEMBL7913771

SCHEMBL7913771

C=C(C(C)=O)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
EGFR P00533 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
PKM P14618 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
JAK1 P23458 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PTPN1 P18031 1/20 0.50

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
SCHEMBL30924789 1.00 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3007215 0.84 KDM4E (0.63) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL124455 0.82 KDM4E (0.61) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL28956361 0.81 KDM4E (0.55) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4283086 0.81 KDM4E (0.59) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL30060267 0.81 SMN1; SMN2 (0.59) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL1380881 0.81 SMN1; SMN2 (0.59) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL28763047 0.80 KDM4E (0.54) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4233768 0.80 SMN1; SMN2 (0.50) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL30999689 0.79 CES2 (0.56) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125919-A Preparation method of conjugated triene compound 华南理工大学 2024-06-04 CN disclosed
CN-112441997-B Method for synthesizing alpha- (2-tetrahydrofuryl) -acetophenone compound 浙江工业大学 2022-03-15 CN disclosed
CN-112441997-A Method for synthesizing alpha- (2-tetrahydrofuryl) -acetophenone compound 浙江工业大学 2021-03-05 CN disclosed
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-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