SCHEMBL3268140

SCHEMBL3268140

CCCCOC(=O)c1ccc2nn(-c3cc(C)c(C)cc3O)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.50
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STS P08842 7/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL22129874 0.90 ESR1 (0.45) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL30162521 0.90 ESR1 (0.45) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL22129878 0.88 KDM4E (0.50) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL30162729 0.88 KDM4E (0.50) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL3965511 0.88 ESR1 (0.52) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL22129875 0.86 ESR1 (0.47) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL22129852 0.86 ESR1 (0.45) ESR1STSCNR1CNR2ALDH1A1
SCHEMBL30162783 0.86 ESR1 (0.45) ESR1STSCNR1CNR2ALDH1A1
SCHEMBL3268961 0.85 ESR1 (0.49) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL22129869 0.84 HDAC6 (0.54) ESR1STSCNR1CNR2

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-1052223-B1 HYDROTALCITE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL FILM CONTAINING THE SAME KYOWA CHEM IND CO LTD (JP) 2010-06-16 EP disclosed
US-20090042017-A1 Surface Protective Sheet KIMOTO CO., LTD. (JP) 2009-02-12 US disclosed
EP-0976681-B1 Novel fine particulate synthetic chalcoalumite compounds, process for their production, and heat insulator and agricultural film containing the fine particulate synthetic chalcoalumite compounds KYOWA CHEM IND CO LTD (JP) 2003-04-02 EP disclosed
US-6418661-B1 RADIATION ABSORBER; AGRICULTURE KYOWA CHEMICAL INDUSTRY CO LTD (JP) 2002-07-16 US disclosed
US-6306494-B1 USED FOR GREENHOUSE CULTIVATION OR TUNNEL CULTIVATION OF AGRICULTURAL PRODUCTS; ULTRAVIOLET AND VISIBLE LIGHT TRANSMISSION, MECHANICAL STRENGTH AND ELONGATION KYOWA CHEMICAL INDUSTRY CO LTD (JP) 2001-10-23 US disclosed
EP-1052223-A1 HYDROTALCITE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL FILM CONTAINING THE SAME Kyowa Chemical Industry Co., Ltd. (JP) 2000-11-15 EP disclosed
EP-0976681-A2 Novel fine particulate synthetic chalcoalumite compounds, process for their production, and heat insulator and agricultural film containing the fine particulate synthetic chalcoalumite compounds KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-02-02 EP disclosed
EP-0134389-B1 VINYL CHLORIDE RESIN COMPOSITION NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1988-07-27 EP disclosed
US-4670490-A CONTAINING DIESTER PLASTICIZER-MOLDING MATERIALS NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1987-06-02 US disclosed