SCHEMBL7339486

SCHEMBL7339486

CCCCCCCCOc1ccc(-c2nnc(-c3ccc(C(=O)OC)cc3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.56
XIAP P98170 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 1/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC6 Q9UBN7 1/20 0.55
CSNK2A2 P19784 3/20 0.55
CSNK2A1 P68400 3/20 0.55
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7331757 1.00 RARB (0.56) RARBXIAPMAPTLMNARAB9A
SCHEMBL6539009 1.00 RARB (0.56) RARBXIAPMAPTLMNARAB9A
SCHEMBL27466498 0.98 RARB (0.56) RARBXIAPMAPTLMNARAB9A
SCHEMBL6539257 0.96 MAPT (0.59) RARBXIAPMAPTLMNARAB9A
SCHEMBL7316190 0.93 XIAP (0.52) RARBXIAPMAPTLMNARAB9A
SCHEMBL7319177 0.91 MAPT (0.56) RARBXIAPMAPTLMNARAB9A
SCHEMBL7397503 0.91 MAPT (0.56) RARBXIAPMAPTLMNARAB9A
SCHEMBL7324575 0.91 MAPT (0.56) RARBXIAPMAPTLMNARAB9A
SCHEMBL27505772 0.90 XIAP (0.52) RARBXIAPMAPTLMNARAB9A
SCHEMBL7332256 0.90 SMN1; SMN2 (0.58) XIAPMAPTLMNARAB9AHDAC1

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