SCHEMBL7914987

SCHEMBL7914987

O=c1c(-c2ccccc2)ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 3/20 0.55
HDAC4 P56524 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
BCL2L1 Q07817 1/20 0.50
CYP2A6 P11509 1/20 0.50
MGLL Q99685 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CDC25B P30305 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
BCAT2 O15382 1/20 0.46
BACE1 P56817 2/20 0.46

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
SCHEMBL16812113 0.82 ALDH1A1 (0.65) LMNAMAPTHTTHDAC4HDAC2
SCHEMBL16812114 0.82 ALDH1A1 (0.65) LMNAMAPTHTTHDAC4HDAC2
SCHEMBL2997183 0.80 ALDH1A1 (0.56) LMNAMAPTHTTHDAC4HDAC2
SCHEMBL21447 0.79 ALDH1A1 (0.61) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL2361430 0.79 ALDH1A1 (0.61) HDAC4HDAC2HDAC8HDAC6ALDH1A1
Benzene SCHEMBL28035419 0.79 ALDH1A1 (0.61) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL7616374 0.79 HDAC4 (0.65) LMNAMAPTHTTHDAC4HDAC2
SCHEMBL11434922 0.78 ALDH1A1 (0.53) LMNAMAPTHTTHDAC4HDAC2
SCHEMBL11434251 0.78 MAPT (0.46) LMNAMAPTHTTHDAC4HDAC2
SCHEMBL27744579 0.78 BACE1 (0.55) LMNAMAPTHTTHDAC4HDAC2

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