SCHEMBL6132571

SCHEMBL6132571

COCCCCCCCCCOc1ccc(-c2nc(-c3ccc(C(=O)O)cc3)no2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.55
S1PR1 P21453 2/20 0.53
S1PR3 Q99500 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
HTT P42858 2/20 0.49
TPH1 P17752 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6132663 1.00 RARB (0.55) RARBS1PR1S1PR3TP53TSHR
SCHEMBL2350982 0.91 RARB (0.70) RARBS1PR1S1PR3TP53TSHR
SCHEMBL6132713 0.89 MAPT (0.57) S1PR1S1PR3TP53NR1H4HTT
SCHEMBL6132859 0.89 MAPT (0.57) S1PR1S1PR3TP53NR1H4HTT
SCHEMBL7341743 0.84 NR1H4 (0.65) RARBTP53TSHRPLA2G4BNR1H4
SCHEMBL6132679 0.83 NR1H4 (0.44) RARBNR1H4TPH1MAPT
SCHEMBL6132909 0.83 NR1H4 (0.44) RARBNR1H4TPH1MAPT
SCHEMBL18682414 0.83 RARB (0.77) RARBTP53TSHRPLA2G4BHTT
SCHEMBL7332700 0.83 RARB (0.77) RARBTP53TSHRPLA2G4BHTT
SCHEMBL7340390 0.83 RARB (0.77) RARBTP53TSHRPLA2G4BHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed