SCHEMBL8368461

SCHEMBL8368461

NCc1ccccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.61
DPP4 P27487 1/20 0.59
KMO O15229 1/20 0.56
ROCK2 O75116 3/20 0.55
PTGER1 P34995 2/20 0.51
PLA2G2A P14555 1/20 0.50
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
NR1H4 Q96RI1 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
DDT P30046 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K4 P45985 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPK6 Q16659 1/20 0.46
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45

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
SCHEMBL26365859 0.85 FOLH1 (0.62) FOLH1KMOPTGER1PLA2G2APTGER4
SCHEMBL22442327 0.85 FOLH1 (0.62) FOLH1KMOPTGER1PLA2G2APTGER4
SCHEMBL2213546 0.82 KMO (0.73) FOLH1KMOPTGER1NR1H4RXRA
SCHEMBL30259065 0.82 KMO (0.73) FOLH1KMOPTGER1NR1H4RXRA
SCHEMBL27378863 0.82 ROCK2 (0.60) DPP4ROCK2
SCHEMBL7919905 0.81 DPP4 (0.66) FOLH1DPP4RXRARXRB
SCHEMBL1707626 0.81 KMO (0.70) FOLH1KMOPTGER1NR1H4RXRA
Bicarbonate SCHEMBL27817695 0.81 DPP4 (0.83) FOLH1DPP4PTGER1PTGER4PTGER3
SCHEMBL382724 0.81 KMO (0.70) FOLH1KMOPTGER1NR1H4RXRA
SCHEMBL8111002 0.80 FOLH1 (0.57) FOLH1ROCK2

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-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP claimed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP claimed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 WO claimed
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed