SCHEMBL7338829

SCHEMBL7338829

C=CCCCCOc1ccc(-c2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TBXAS1 P24557 2/20 0.49
PPARA Q07869 4/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
POLB P06746 1/20 0.47
ALB P02768 1/20 0.45
CYSLTR1 Q9Y271 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
SCHEMBL7338819 1.00 ALDH1A1 (0.55) ALDH1A1L3MBTL1TBXAS1PPARATHRB
SCHEMBL4064477 0.88 ALDH1A1 (0.56) ALDH1A1L3MBTL1TBXAS1PPARATHRB
SCHEMBL3806008 0.84 RARB (0.61) ALDH1A1THRBATMPOLBABCG2
SCHEMBL3806005 0.84 RARB (0.61) ALDH1A1THRBATMPOLBABCG2
SCHEMBL6873473 0.84 THRB (0.53) ALDH1A1TBXAS1PPARATHRBATM
SCHEMBL7338564 0.84 ABCG2 (0.60) ALDH1A1TBXAS1THRBATMPOLB
SCHEMBL7338571 0.84 ABCG2 (0.60) ALDH1A1TBXAS1THRBATMPOLB
SCHEMBL11684594 0.83 THRB (0.62) TBXAS1PPARATHRBATMHDAC3
SCHEMBL7336067 0.83 APP (0.53) TBXAS1PPARATHRBATMPOLB
SCHEMBL7330857 0.83 THRB (0.56) TBXAS1PPARATHRBATMHDAC3

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-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
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed