SCHEMBL4042859

SCHEMBL4042859

CCC(O)COc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
CACNA1G O43497 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MMP14 P50281 2/20 0.41
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRB3 P13945 1/20 0.40
LMNA P02545 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
SCHEMBL8288259 0.89 USP2 (0.59) USP2TSHRMAPK1HIF1AKDM4E
SCHEMBL4040995 0.87 LMNA (0.57) USP2FFAR1FFAR4MMP14KDM4E
SCHEMBL4041294 0.86 POLB (0.42) USP2CACNA1GTSHRMAPK1LTA4H
SCHEMBL4044793 0.85 TSHR (0.61) CACNA1GTSHRMAPK1KDM4E
SCHEMBL4041951 0.85 ADRB2 (0.55) TSHRMAPK1FFAR1ADRB2ADRB1
SCHEMBL1496637 0.84 LTA4H (0.58) LTA4HKDM4EADRB2ADRB1CYP2D6
SCHEMBL4049993 0.84 TSHR (0.51) CACNA1GTSHRLTA4HLMNA
SCHEMBL14282215 0.79 MAPK1 (0.64) TSHRMAPK1HIF1AKDM4EADRB2
SCHEMBL10700083 0.79 TSHR (0.55) CACNA1GTSHRLMNA
SCHEMBL29620677 0.79 MAPT (0.57) USP2TSHRMAPK1HIF1AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 EP disclosed