SCHEMBL7338309

SCHEMBL7338309

CCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(C(=O)O)cc4)o3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.68
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 7/20 0.64
HPGD P15428 6/20 0.64
HSD17B10 Q99714 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
RARB P10826 5/20 0.62
TP53 P04637 6/20 0.57
TSHR P16473 4/20 0.57
MAPT P10636 4/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
LMNA P02545 1/20 0.57
PLA2G4B P0C869 2/20 0.54

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
SCHEMBL12171858 0.99 NR1H4 (0.70) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL7323297 0.95 RARB (0.70) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL12171578 0.93 NR1H4 (0.70) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL7323408 0.92 RARB (0.75) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL7314596 0.91 RARB (0.78) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL8087307 0.91 RARB (0.78) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL7342728 0.90 RARB (0.75) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL7331833 0.90 RARB (0.75) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL12171361 0.87 NR1H4 (0.73) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL4060096 0.87 RARB (0.79) RARBTP53TSHRPLA2G4B

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