Butane

Butane

SCHEMBL7941609

CCCC.c1ccc(Nc2cccc3c2ccc2ccccc23)cc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ CDC25B P30305 3/20 0.66
▸ HPGD P15428 3/20 0.66
▸ ATM Q13315 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ TP53 P04637 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ GAA P10253 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ GLA P06280 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ RAB9A P51151 1/20 0.50
▸ FADS1 O60427 1/20 0.47
▸ HPRT1 P00492 1/20 0.45

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
SCHEMBL2844253 0.92 ALDH1A1 (0.78) ALDH1A1CDC25BHPGDATMTSHR
SCHEMBL7161887 0.82 HPGD (0.58) ALDH1A1CDC25BHPGDATMTSHR
Dodecane SCHEMBL28043302 0.82 HPGD (0.73) ALDH1A1CDC25BHPGDATMTSHR
SCHEMBL6541282 0.80 HPRT1 (0.64) ALDH1A1CDC25BHPGDATMTSHR
SCHEMBL19796 0.80 ALDH1A1 (1.00) ALDH1A1CDC25BHPGDATMTSHR
SCHEMBL9572742 0.80 HPRT1 (0.64) ALDH1A1CDC25BHPGDATMTSHR
SCHEMBL29350230 0.80 ALDH1A1 (1.00) ALDH1A1CDC25BHPGDATMTSHR
SCHEMBL25124918 0.79 CDC25B (0.59) ALDH1A1CDC25BHPGDATMTSHR
SCHEMBL21645599 0.79 HPRT1 (0.61) ALDH1A1CDC25BHPGDATMTSHR
Ammonia Solution, Strong SCHEMBL20918916 0.79 ALDH1A1 (0.96) ALDH1A1CDC25BHPGDATMTSHR

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-6251483-B1 ACCUMULATION; FILTRATION NIPPON PAINT CO., LTD. (JP) 2001-06-26 — — US disclosed
EP-0983799-A2 Recyclable cold curing aqueous coating composition and method for recycling it Nippon Paint Co., Ltd. (JP) 2000-03-08 — — EP disclosed
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