SCHEMBL3268961

SCHEMBL3268961

CCCCOC(=O)c1ccc2nn(-c3cccc(C)c3O)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.49
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
CYP2C9 P11712 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
STS P08842 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3268140 0.85 ESR1 (0.50) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL3965511 0.82 ESR1 (0.52) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL30162521 0.80 ESR1 (0.45) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL22129874 0.80 ESR1 (0.45) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL22129878 0.80 KDM4E (0.50) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL30162729 0.80 KDM4E (0.50) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL22129875 0.78 ESR1 (0.47) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL21630161 0.77 STS (0.49) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL22129887 0.77 ESR1 (0.46) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL29881106 0.77 STS (0.49) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA

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 6 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
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