SCHEMBL8313602

SCHEMBL8313602

O=C1CCc2ccc3ccccc3c2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 1/20 0.60
GLA P06280 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
SIRT1 Q96EB6 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NFKB1 P19838 6/20 0.42
NFKB2 Q00653 6/20 0.42
RELA Q04206 6/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL30522627 1.00 KDM4E (0.60) KDM4ECYP1A2GLACYP2C9HPGD
Sulfuric Acid SCHEMBL30114787 0.92 KDM4E (0.53) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL30286854 0.84 CA12 (0.49) KDM4ECYP1A2GLACYP2C9HPGD
Splitomicin SCHEMBL29570541 0.75 SIRT1 (1.00) KDM4ECYP1A2GLACYP2C9HPGD
Splitomicin SCHEMBL2544804 0.75 SIRT1 (1.00) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL31037886 0.75 HSD17B10 (0.44) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL10818537 0.75 HSD17B10 (0.56) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL10378225 0.75 HSD17B10 (0.46) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL30779751 0.75 HSD17B10 (0.46) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL29395407 0.71 HTR2A (0.44) KDM4ECYP1A2GLACYP2C9HPGD

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
US-20220025140-A1 RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL USING SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2022-01-27 US disclosed
EP-3858899-A1 RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL USING SAME NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2021-08-04 EP disclosed
WO-2020066746-A1 RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL USING SAME 日鉄ケミカル&マテリアル株式会社 2020-04-02 WO disclosed
US-7514406-B2 Methods for inhibiting deacetylase activity FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2009-04-07 US disclosed
EP-0691342-B1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-04-28 EP disclosed
US-5663191-A PSYCHIATRIC DISEASES, ANXIETY AND ANTIDEPRESSANTS ADIR ET COMPAGNIE (FR) 1997-09-02 US disclosed
EP-0691342-A1 Benzopyrane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed