SCHEMBL7606471

SCHEMBL7606471

CCCCCCOc1ccc(-c2nc3cc(C(=O)OCC)ccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.55
TP53 P04637 3/20 0.53
RXFP1 Q9HBX9 3/20 0.53
THRB P10828 3/20 0.53
HDAC6 Q9UBN7 2/20 0.50
RARB P10826 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8307382 0.95 MAPT (0.54) MAPTTP53RXFP1THRBHDAC6
SCHEMBL7333665 0.89 RARB (0.62) MAPTTP53RXFP1THRBHDAC6
SCHEMBL8308595 0.89 RARB (0.62) MAPTTP53RXFP1THRBHDAC6
SCHEMBL8307428 0.89 MAPT (0.58) MAPTTP53RXFP1THRBHDAC6
SCHEMBL7339257 0.87 HDAC6 (0.50) MAPTTP53RXFP1THRBHDAC6
SCHEMBL8306605 0.87 MAPT (0.54) MAPTTP53RXFP1THRBHDAC6
SCHEMBL7337596 0.86 MAPT (0.48) MAPTTP53HDAC6RARBRAB9A
SCHEMBL9001548 0.83 MAPT (0.58) MAPTTP53RXFP1THRBRAB9A
SCHEMBL9001546 0.82 SMN1; SMN2 (0.62) MAPTTP53RXFP1THRBRAB9A
SCHEMBL9001602 0.82 MAPT (0.53) MAPTTP53RXFP1THRBHDAC6

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
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