SCHEMBL5051920

SCHEMBL5051920

[Li]Cc1ccc(C=C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.31
PSMD14 O00487 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL6380427 0.79 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8POLB
SCHEMBL50300 0.78 ALDH1A1 (0.65) ALDH1A1TSHRTDP1HDAC8POLB
SCHEMBL1647493 0.78 ALDH1A1 (0.65) ALDH1A1TSHRTDP1HDAC8POLB
SCHEMBL50012 0.78 ALDH1A1 (0.65) ALDH1A1TSHRTDP1HDAC8POLB
SCHEMBL473081 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL7639 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL30205203 0.76 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8POLB
SCHEMBL248030 0.76 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8POLB
SCHEMBL248455 0.74 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8MAPT
SCHEMBL171622 0.74 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8POLB

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
JP-7062104-A None JP disclosed
EP-0987303-B1 Carbon black graft polymer NIPPON CATALYTIC CHEM IND (JP) 2008-09-10 EP disclosed
US-6417283-B1 STATIC CHARGE DEVELOPMENT TONER; PHOTOGRAPHY; HIGH RESOLUTION; ELECTRICAL RESISTANCE NIPPON SHOKUBAI CO., LTD. (JP) 2002-07-09 US disclosed
EP-0987303-A1 Carbon black graft polymer Nippon Shokubai Co., Ltd. (JP) 2000-03-22 EP disclosed
US-5952429-A A BLACK PHOTOCURABLE RESIN COMPOSITION IS OBTAINED BY MIXING UNDER HEATING A BLOCK- OR GRAFT-COPOLYMER WITH CARBON BLACK; IMPROVED PHOTOSENSITIVITY, INSULATING PROPERTY; FORMING A BLACK MATRIX PARTICULARLY IN A COLOR FILTER NIPPON SHOKUBAI CO., LTD. (JP) 1999-09-14 US disclosed
EP-0787777-A1 CARBON BLACK GRAFT POLYMER, PROCESS FOR THE PRODUCTION OF THE POLYMER AND USE THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 1997-08-06 EP disclosed
JP-H0762104-A SILICON-CONTAINING COPOLYCONDENSATE AND PREPARATION THEREOF NIPPON SANSO KK 1995-03-07 JP disclosed