SCHEMBL7339563

SCHEMBL7339563

CCCCCCCc1ccc(-c2ccc(CCC(=O)OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.60
ALDH1A1 P00352 3/20 0.60
RARA P10276 2/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
MTOR P42345 1/20 0.60
KMT2A Q03164 1/20 0.60
RARG P13631 1/20 0.52
FAAH O00519 1/20 0.51
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HSD17B10 Q99714 2/20 0.50
S1PR2 O95136 1/20 0.50

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
SCHEMBL7330984 0.98 RARB (0.59) RARBALDH1A1RARAMEN1MAPT
SCHEMBL26239880 0.95 FAAH (0.55) RARBALDH1A1RARAMEN1MAPT
SCHEMBL27357681 0.95 FAAH (0.55) RARBALDH1A1RARAMEN1MAPT
SCHEMBL26239854 0.94 ALDH1A1 (0.56) RARBALDH1A1FAAHS1PR1S1PR3
SCHEMBL25169991 0.89 FAAH (0.59) RARBALDH1A1RARAMEN1MAPT
SCHEMBL26239962 0.89 FAAH (0.55) RARBALDH1A1RARAMEN1MAPT
SCHEMBL26239833 0.89 ALDH1A1 (0.55) RARBALDH1A1HSD17B10THRATHRB
SCHEMBL26239859 0.87 ALDH1A1 (0.56) RARBALDH1A1FAAHS1PR1S1PR3
SCHEMBL7340690 0.85 RARB (0.56) RARBS1PR1S1PR3KDM4ELMNA
SCHEMBL25173219 0.85 FAAH (0.55) ALDH1A1FAAHS1PR1S1PR3ESR1

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 7 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
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