SCHEMBL6490660

SCHEMBL6490660

Cc1cnc(C(=CC(=O)O)Cc2ccccc2OCc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.41
PTGER4 P35408 7/20 0.41
PTGER3 P43115 7/20 0.41
PTGER2 P43116 7/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CFD P00746 2/20 0.40
F11 P03951 2/20 0.40
TPSB2 P20231 2/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
F7 P08709 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC1A5 Q15758 1/20 0.39
BRD4 O60885 2/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL6490654 1.00 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2L3MBTL1
SCHEMBL6502665 0.83 ALOX5 (0.49) KMT2A
SCHEMBL6490658 0.83 ALOX5 (0.49) KMT2A
SCHEMBL68571 0.71 L3MBTL1 (0.69) PTGER1PTGER4PTGER3PTGER2L3MBTL1
SCHEMBL31757965 0.70 CFD (0.68) PTGER1PTGER4PTGER3PTGER2L3MBTL1
SCHEMBL1007508 0.70 CFD (0.68) PTGER1PTGER4PTGER3PTGER2L3MBTL1
Bicarbonate SCHEMBL27963003 0.70 HTR1A (0.61) PTGER1PTGER4PTGER3PTGER2L3MBTL1
SCHEMBL16109348 0.70 PTGER1 (0.41) PTGER1KMT2A
SCHEMBL16109350 0.70 PTGER1 (0.41) PTGER1KMT2A
SCHEMBL16108466 0.70 SIRT2 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed