SCHEMBL7339580

SCHEMBL7339580

CCCCCCCCc1ccc(NC(=O)Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.72
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
THRB P10828 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 1/20 0.57
THRA P10827 3/20 0.56
KDM4E B2RXH2 1/20 0.55
GFER P55789 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
S1PR1 P21453 1/20 0.54
RAD51 Q06609 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL29233138 0.95 RAB9A (0.70) FAAHRAB9AALDH1A1THRBTHRA
SCHEMBL29233089 0.95 RAB9A (0.70) FAAHRAB9AALDH1A1THRBTHRA
SCHEMBL1839911 0.95 RAB9A (0.70) FAAHRAB9AALDH1A1THRBTHRA
SCHEMBL10112975 0.94 FAAH (0.67) FAAHRAB9AALDH1A1MAPTTHRB
SCHEMBL29233062 0.93 RAB9A (0.72) FAAHRAB9AALDH1A1MAPTTHRB
SCHEMBL1951183 0.89 FAAH (0.61) FAAHRAB9ATHRBTHRA
SCHEMBL1951177 0.89 FAAH (0.61) FAAHRAB9ATHRBTHRA
SCHEMBL1954765 0.89 FAAH (0.61) FAAHRAB9ATHRBTHRA
SCHEMBL29233073 0.89 RAB9A (0.74) FAAHRAB9AALDH1A1MAPTTHRB
SCHEMBL5214279 0.84 FAAH (1.00) FAAH

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