SCHEMBL7338571

SCHEMBL7338571

CCCCOc1ccc(-c2ccc(/C=C/C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.60
THRB P10828 1/20 0.57
ATM Q13315 1/20 0.57
POLB P06746 1/20 0.56
RARB P10826 4/20 0.56
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
BCHE P06276 2/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
TBXAS1 P24557 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL7338564 1.00 ABCG2 (0.60) ABCG2THRBATMPOLBRARB
SCHEMBL3806008 0.97 RARB (0.61) ABCG2THRBATMPOLBRARB
SCHEMBL3806005 0.97 RARB (0.61) ABCG2THRBATMPOLBRARB
SCHEMBL7956701 0.96 RARB (0.63) ABCG2THRBATMPOLBRARB
SCHEMBL7956696 0.96 RARB (0.63) ABCG2THRBATMPOLBRARB
SCHEMBL154581 0.95 ABCG2 (0.65) ABCG2THRBATMPOLBBCHE
SCHEMBL1206856 0.95 ABCG2 (0.65) ABCG2THRBATMPOLBBCHE
SCHEMBL8999226 0.94 ABCG2 (0.60) ABCG2THRBATMPOLBKDM4E
SCHEMBL1551186 0.92 ABCG2 (0.62) ABCG2THRBATMPOLBRARB
SCHEMBL1942953 0.92 ABCG2 (0.62) ABCG2THRBATMPOLBRARB

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