SCHEMBL5775031

SCHEMBL5775031

CC(C)Oc1cc(CC(=O)O)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.43
P2RX3 P56373 2/20 0.41
RORC P51449 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
S1PR1 P21453 4/20 0.40
PPOX P50336 2/20 0.40
CHRM1 P11229 1/20 0.39
CSNK2A1 P68400 2/20 0.38
PTGDR Q13258 1/20 0.38
CXCL8 P10145 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7942213 0.83 PPOX (0.43) KMOP2RX3RORCPPOXCSNK2A1
SCHEMBL5771616 0.81 CSNK2A1 (0.41) KMORORCS1PR1PPOXCSNK2A1
SCHEMBL5773826 0.80 CSNK2A1 (0.42) KMORORCS1PR1PPOXCSNK2A1
SCHEMBL7942796 0.80 CSNK2A1 (0.42) KMORORCS1PR1PPOXCSNK2A1
SCHEMBL7489023 0.77 ALDH1A1 (0.44) KMOP2RX3RORCS1PR1PPOX
SCHEMBL927651 0.76 AKR1B1 (0.44) CHRM1CXCL8
SCHEMBL7482306 0.75 RORC (0.48) KMORORCPPOXCSNK2A1GAA
SCHEMBL5773291 0.75 CSNK2A1 (0.39) P2RX3RORCPPOXCSNK2A1GAA
SCHEMBL5746010 0.74 HSD17B10 (0.47) PTGDR
SCHEMBL5772458 0.73 PPOX (0.36) P2RX3RORCPPOXCSNK2A1GAA

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-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed