SCHEMBL7571404

SCHEMBL7571404

CC(Cc1ccccc1-c1ccccn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.48
PTGER4 P35408 2/20 0.48
PTGER3 P43115 2/20 0.48
PTGER2 P43116 2/20 0.48
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
APAF1 O14727 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPRA P18433 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.40
TBXAS1 P24557 2/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39

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
SCHEMBL27285183 0.84 PPARG (0.43) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL22873307 0.81 TRPM8 (0.48) MAPTKDM4EPOLBL3MBTL1CYP1A2
SCHEMBL31276090 0.81 TRPM8 (0.48) MAPTKDM4EPOLBL3MBTL1CYP1A2
SCHEMBL23189270 0.78 KMT2A (0.71) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL3149585 0.78 KMT2A (0.71) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL17051298 0.78 KMT2A (0.51) PTGER1PTGER4PTGER3PTGER2KMT2A
Bromide SCHEMBL27746577 0.77 KDM4E (0.41) MAPTKDM4EPOLBL3MBTL1CYP1A2
SCHEMBL8520662 0.77 APAF1 (0.59) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL1177969 0.76 KDM4E (0.53) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL4777973 0.76 KDM4E (0.50) MAPTKDM4EPOLBL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743317-B1 Metallocenes comprising a heterocycle and catalysts containing them BASELL POLYOLEFINE GMBH (DE) 2002-08-28 EP disclosed
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US disclosed
EP-0743317-A2 Metallocenes comprising a heterocycle and catalysts containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-20 EP disclosed