SCHEMBL7330661

SCHEMBL7330661

CCCCCCCc1ccc(C(=O)C(=O)CC)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.69
THRB P10828 9/20 0.69
RARB P10826 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.61
RARA P10276 1/20 0.61
MAPT P10636 1/20 0.61
MTOR P42345 1/20 0.61
HAO1 Q9UJM8 1/20 0.60
PLA2G1B P04054 3/20 0.56
ATG4B Q9Y4P1 3/20 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
SCHEMBL2853869 0.89 THRA (0.77) THRATHRBRARBMEN1KMT2A
SCHEMBL2849969 0.89 THRA (0.77) THRATHRBRARBMEN1KMT2A
SCHEMBL11431401 0.88 CES2 (0.68) THRATHRBRARBMEN1KMT2A
SCHEMBL28433161 0.85 CES2 (0.68) THRATHRBRARBMEN1KMT2A
SCHEMBL2831001 0.83 THRA (0.69) THRATHRBRARBMEN1KMT2A
SCHEMBL10883866 0.82 THRA (0.75) THRATHRBRARBMEN1KMT2A
SCHEMBL11435461 0.82 THRA (0.75) THRATHRBRARBMEN1KMT2A
SCHEMBL11427685 0.82 THRA (0.75) THRATHRBRARBMEN1KMT2A
SCHEMBL8903148 0.82 THRA (0.75) THRATHRBRARBMEN1KMT2A
SCHEMBL13267849 0.82 THRA (0.75) THRATHRBRARBMEN1KMT2A

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