SCHEMBL7339141

SCHEMBL7339141

CCCCCCCCOc1ccc(N2CCN(c3ccc(C(=O)O)cc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
TP53 P04637 1/20 0.76
PLA2G4B P0C869 8/20 0.74
RARB P10826 4/20 0.70
PLA2G4A P47712 1/20 0.67
THRA P10827 1/20 0.66
THRB P10828 1/20 0.66
MAPT P10636 3/20 0.60
HPGD P15428 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HTT P42858 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HIF1A Q16665 1/20 0.58
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
Hydrochloric Acid SCHEMBL7330237 0.99 TSHR (0.74) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL7334829 0.99 TSHR (0.74) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL6539254 0.99 TSHR (0.74) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL5186756 0.99 TSHR (0.73) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL7332274 0.97 TSHR (0.71) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL7339554 0.89 TSHR (0.60) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL7331983 0.88 TSHR (0.59) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL6538491 0.88 TSHR (0.62) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL7333300 0.88 TSHR (0.59) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL6132467 0.88 TSHR (0.57) TSHRTP53PLA2G4BRARBPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
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
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed