SCHEMBL6672379

SCHEMBL6672379

Cc1ccccc1N(c1ccccc1)c1cccc2c(OCc3ccccc3)cc(C(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MRGPRX4 Q96LA9 6/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PTGER1 P34995 4/20 0.39
CYP1A2 P05177 1/20 0.39
PPARA Q07869 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
SCHEMBL6602356 0.85 MRGPRX4 (0.42) ALOX15MRGPRX4PTGER1
SCHEMBL6592207 0.84 MRGPRX4 (0.44) ALOX15MRGPRX4PTGER1
SCHEMBL6599537 0.81 MRGPRX4 (0.42) ALOX15MRGPRX4PTGER1PPARA
SCHEMBL6672382 0.78 PTGER1 (0.43) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL6079313 0.77 NOTUM (0.41) MRGPRX4
SCHEMBL6590520 0.76 MRGPRX4 (0.47) MRGPRX4PTGER1CYP1A2
SCHEMBL6596767 0.76 MRGPRX4 (0.47) ALOX15MRGPRX4PTGER1
SCHEMBL6598155 0.75 PTGER1 (0.50) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL6080646 0.75 NOTUM (0.42) MRGPRX4
SCHEMBL2908552 0.73 ALOX15 (0.64) ALOX15MRGPRX4PTGER1

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed