Butane

Butane

SCHEMBL3628845

CCCC.N#Cc1ccc(-c2ccc(OCCCCCCOc3cc(C(=O)O)cc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.63
PLA2G2A P14555 1/20 0.59
MMP2 P08253 2/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 4/20 0.55
MMP3 P08254 2/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
PLA2G4A P47712 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
SCHEMBL3971811 0.95 MMP2 (0.62) RARBPLA2G2AMMP2HDAC1HDAC2
SCHEMBL2993045 0.84 HRH2 (0.56) RARBMMP2HDAC1HDAC2MMP3
SCHEMBL6678136 0.84 MMP2 (0.56) RARBPLA2G2AMMP2HDAC1HDAC2
SCHEMBL6675571 0.84 MMP2 (0.56) RARBPLA2G2AMMP2HDAC1HDAC2
SCHEMBL5088870 0.83 RARB (0.68) RARBMMP2TP53TSHRPLA2G4B
SCHEMBL5226337 0.82 PLA2G2A (0.82) RARBPLA2G2ATP53TSHRPLA2G4B
SCHEMBL6680243 0.82 MMP2 (0.57) RARBMMP2HDAC1HDAC2TP53
SCHEMBL6675503 0.82 MMP2 (0.57) RARBMMP2HDAC1HDAC2TP53
SCHEMBL16363074 0.81 RARB (0.72) RARBPLA2G2ATP53TSHRPLA2G4B
SCHEMBL9326057 0.81 PLA2G2A (0.74) RARBPLA2G2ATP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7782732-B2 Optical recording method, optical reproducing method, and optical reproducing apparatus FUJI XEROX CO., LTD. (JP) 2010-08-24 US disclosed
US-20070236763-A1 Optical recording method, optical reproducing method, and optical reproducing apparatus FUJI XEROX CO., LTD. (JP) 2007-10-11 US disclosed