SCHEMBL717403

SCHEMBL717403

C1=Nc2ccc3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPRT1 P00492 1/20 0.44
CYP1A2 P05177 5/20 0.41
CYP1B1 Q16678 2/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.38
PTPN22 Q9Y2R2 1/20 0.37
PAX8 Q06710 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 2/20 0.36
CYP1A1 P04798 1/20 0.36
POLB P06746 1/20 0.36
CFTR P13569 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL31714364 1.00 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29691693 0.78 CYP2A6 (0.44) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL2435414 0.78 ALDH1A1 (0.44) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL11535030 0.72 CLK1 (0.41) CYP2A6KDM4EPOLB
SCHEMBL12473395 0.71 DNMT1 (0.43) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL4501009 0.70 CYP1A2 (0.44) ALDH1A1HSD17B10TSHRCYP1A2CYP1B1
SCHEMBL2996567 0.70 ALDH1A1 (0.44) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL30932938 0.68 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29477074 0.68 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL7643 0.68 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10TSHRTDP1

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-3281986-B1 RESIN COMPOSITION AND MULTILAYER STRUCTURE USING SAME MITSUBISHI CHEM CORP (JP) 2021-07-21 EP disclosed
US-10427389-B2 Resin composition and multilayer structure using same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-10-01 US disclosed
EP-3281986-A1 RESIN COMPOSITION AND MULTILAYER STRUCTURE USING SAME The Nippon Synthetic Chemical Industry Co., Ltd. (JP) 2018-02-14 EP disclosed
US-20180015707-A1 RESIN COMPOSITION AND MULTILAYER STRUCTURE USING SAME THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2018-01-18 US disclosed
EP-2436728-B1 EVOH RESIN COMPOSITION, AND MOLDED ARTICLE AND MULTILAYER STRUCTURE BOTH COMPRISING SAME NIPPON SYNTHETIC CHEM IND CO LTD (JP) 2018-01-03 EP disclosed
US-8569414-B2 Polyvinyl alcohol resin composition and molded article thereof THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2013-10-29 US disclosed
US-8298636-B2 EVOH resin composition, and molded article and multilayer structure both comprising same THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2012-10-30 US disclosed
US-20120157627-A1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MOLDED ARTICLE THEREOF THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2012-06-21 US disclosed
US-20120052225-A1 EVOH RESIN COMPOSITION, AND MOLDED ARTICLE AND MULTILAYER STRUCTURE BOTH COMPRISING SAME THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2012-03-01 US disclosed