Butane

Butane

SCHEMBL8938014

CCCC.O=[PH](O)OC(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1cccc2ccccc12

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.54
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 2/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
CNR2 P34972 2/20 0.33
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8938015 0.74 ACP3 (0.53) ACP3KMT2AMEN1ALDH1A1MAPT
SCHEMBL8938035 0.71 ACP3 (0.67) ACP3KMT2AMEN1ALDH1A1MAPT
SCHEMBL8938007 0.70 ACP3 (1.00) ACP3KMT2AMEN1ALDH1A1MAPT
SCHEMBL9313695 0.67 ACP3 (0.40) ACP3ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7907348 0.64 ALDH1A1 (0.39) ACP3ALDH1A1HPGDKDM4ECYP1A2
Butane SCHEMBL9871035 0.64 ATM (0.44) ACP3KMT2AMEN1HPGDHTT
SCHEMBL31186826 0.63 ACP3 (0.39) ACP3KMT2AMEN1ALDH1A1MAPT
SCHEMBL8376830 0.63 ACP3 (0.45) ACP3KMT2AMEN1ALDH1A1HPGD
SCHEMBL7273144 0.63 CTSK (0.43) ALDH1A1SMN1; SMN2CYP1A2PPARGPPARA
Butane SCHEMBL10417055 0.62 TSHR (0.41) KMT2AALDH1A1HPGDKDM4ECYP1A2

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-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed