Butane

Butane

SCHEMBL10399492

CCCC.O=C(O)c1ccc2c(c1)C(=O)NC2=O

nearest known ligand 0.53

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ TDP2 O95551 2/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALOX12 P18054 1/20 0.49
▸ KMT2A Q03164 8/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ TTR P02766 2/20 0.47
▸ PTPRC P08575 2/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CHEK1 O14757 1/20 0.44

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
SCHEMBL1260800 0.91 TDP2 (0.59) POLBTDP2KMT2AMEN1TTR
SCHEMBL29703129 0.91 TDP2 (0.59) POLBTDP2KMT2AMEN1TTR
Butyl Chloride SCHEMBL10492137 0.88 MEN1 (0.51) POLBTDP2KDM4EALDH1A1HPGD
Hexanoate SCHEMBL11747038 0.87 ALDH1A1 (0.51) POLBTDP2KDM4EALDH1A1HPGD
SCHEMBL14472810 0.82 POLB (0.46) POLBTDP2ALDH1A1HPGDKMT2A
Butane SCHEMBL11141899 0.79 POLB (0.53) POLBKDM4EALDH1A1HPGDKMT2A
Diphenylether SCHEMBL11834259 0.79 MAOA (0.69) POLBTDP2KMT2ATTRPTPRC
Butane SCHEMBL10492117 0.79 HPGD (0.45) POLBKDM4EALDH1A1HPGDALOX12
SCHEMBL11719702 0.78 KMT2A (0.69) TDP2KDM4EALDH1A1HPGDALOX12
SCHEMBL11348981 0.78 KMT2A (0.52) POLBKDM4EALDH1A1HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4898806-A IRBADIATING AND HEATING POLYAMIC ACIDS TO POLYIMIDES CIBA-GEIGY CORPORATION (US) 1990-02-06 — — US disclosed
US-4814233-A PROTECTIVE FILMS, COVERTIBLE TO POLYIMIDES; TRI-OR TETRA-CARBOXYLIC ACIDS WITH BENZOPHENONE GROUPS AND DIAMINES CIBA-GEIGY CORPORATION (US) 1989-03-21 — — US disclosed
US-4696890-A POLYIMIDES BY HEATING A PHOTOCROSSLINKED POLYAMIC ESTER CIBA-GEIGY CORPORATION (US) 1987-09-29 — — US disclosed
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