SCHEMBL1759133

SCHEMBL1759133

O=CCc1cccc(-c2cccc(-c3ccccc3)c2OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.45
PTGER4 P35408 6/20 0.44
PTGER3 P43115 6/20 0.44
PTGER2 P43116 5/20 0.44
GSTP1 P09211 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
FABP4 P15090 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
FFAR1 O14842 4/20 0.40
CYP2C9 P11712 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GRM5 P41594 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 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
SCHEMBL1759295 0.86 FEN1 (0.42) PTGER1PTGER4PTGER3PTGER2MAOA
SCHEMBL1758960 0.85 PTGER4 (0.44) PTGER1PTGER4PTGER3PTGER2GSTP1
SCHEMBL1638769 0.79 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2GSTP1
SCHEMBL18495742 0.78 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL1638061 0.76 MAOB (0.62) PTGER1PTGER4PTGER3PTGER2MAOA
SCHEMBL1420024 0.75 AGXT (0.52) MAOA
SCHEMBL6640539 0.74 MAPT (0.55) PTGER1PTGER4PTGER3PTGER2GSTP1
SCHEMBL1009475 0.74 MAOB (0.68) MAOAMAOBFFAR1CCNB2CDK1
SCHEMBL27877418 0.74 HPGD (0.50) PTGER1PTGER4PTGER3PTGER2GSTP1
SCHEMBL12727690 0.73 HTR1A (0.49) PTGER1PTGER4PTGER3PTGER2GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed