SCHEMBL7830642

SCHEMBL7830642

CSc1ccccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.56
NR1H4 Q96RI1 2/20 0.50
AR P10275 1/20 0.49
PTGER1 P34995 1/20 0.48
FOLH1 Q04609 2/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
DDT P30046 1/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
KEAP1 Q14145 1/20 0.44

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
SCHEMBL28869485 0.86 BAZ2B (0.51) AR
SCHEMBL7815823 0.83 RAB9A (0.49) GAA
SCHEMBL2213546 0.82 KMO (0.73) KMONR1H4PTGER1FOLH1RXRA
SCHEMBL30259065 0.82 KMO (0.73) KMONR1H4PTGER1FOLH1RXRA
SCHEMBL890771 0.81 AR (0.49) NR1H4ARFOLH1RXRARXRB
SCHEMBL1707626 0.81 KMO (0.70) KMONR1H4PTGER1FOLH1RXRA
SCHEMBL382724 0.81 KMO (0.70) KMONR1H4PTGER1FOLH1RXRA
SCHEMBL18076320 0.80 KDM4E (0.50) LMNAGAA
Hydrochloric Acid SCHEMBL6620601 0.80 AR (0.48) NR1H4ARFOLH1RXRARXRB
Methane SCHEMBL29109682 0.79 KMO (0.68) KMONR1H4PTGER1FOLH1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed