SCHEMBL7339528

SCHEMBL7339528

CCCCCCCCc1ccc2oc(C(=O)O)c(C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 4/20 0.55
MCL1 Q07820 1/20 0.55
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KAT8 Q9H7Z6 2/20 0.50
PPARA Q07869 2/20 0.50
NPC1 O15118 3/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GPR35 Q9HC97 1/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
PPARG P37231 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RARB P10826 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
SCHEMBL7333479 0.86 RAB9A (0.52) KDM4ERAB9ANPC1KMT2AALDH1A1
SCHEMBL2551841 0.81 MCL1 (0.57) KDM4ERAB9AMCL1HPGDGAA
SCHEMBL1065625 0.79 MCL1 (0.61) KDM4ERAB9AMCL1HPGDGAA
SCHEMBL8202581 0.78 PTGES (0.44) NPSR1KAT8PPARAKMT2AALDH1A1
SCHEMBL8700102 0.78 MCL1 (0.60) KDM4ERAB9AMCL1HPGDGAA
SCHEMBL9989066 0.77 KDM4E (0.80) KDM4ERAB9AMCL1HPGDGAA
SCHEMBL26603332 0.77 HPGD (0.65) KDM4EMCL1HPGDGAASMN1; SMN2
SCHEMBL5337478 0.76 CYP1A2 (0.56) KDM4EKAT8PPARAALDH1A1
SCHEMBL16806155 0.75 CYP1A2 (0.51) KDM4EKAT8PPARAALDH1A1
SCHEMBL16806158 0.75 CYP1A2 (0.51) KDM4EKAT8PPARAALDH1A1

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