SCHEMBL7334277

SCHEMBL7334277

CCCCCCCCCc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
GPR84 Q9NQS5 3/20 0.47

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
SCHEMBL5387946 1.00 APEX1 (0.53) APEX1ALDH1A1MAPK1NPSR1GPR84
SCHEMBL8788713 0.95 APEX1 (0.56) APEX1ALDH1A1MAPK1NPSR1
SCHEMBL7334282 0.90 APEX1 (0.67) APEX1ALDH1A1MAPK1NPSR1
SCHEMBL5387954 0.90 APEX1 (0.67) APEX1ALDH1A1MAPK1NPSR1
Guanidine SCHEMBL8688499 0.89 APEX1 (0.44) APEX1ALDH1A1MAPK1NPSR1
SCHEMBL6430716 0.87 GPR84 (0.45) ALDH1A1GPR84
SCHEMBL7338067 0.86 MAPT (0.53) MAPK1GPR84
SCHEMBL11887806 0.86 APEX1 (0.64) APEX1ALDH1A1MAPK1NPSR1
SCHEMBL15173812 0.84 APEX1 (0.56) APEX1ALDH1A1MAPK1NPSR1
SCHEMBL8906012 0.84 APEX1 (0.71) APEX1ALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed