Butane

Butane

SCHEMBL27686347

CCCC.CN(C)Cc1ccc(O)cc1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
ALDH2 P05091 1/20 0.47
ESR1 P03372 8/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL19206134 0.93 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1ALDH2
SCHEMBL116611 0.93 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1ALDH2
SCHEMBL28611070 0.91 HRH3 (0.61) HRH3ALDH1A1TSHRTAAR1ALDH2
Hydrochloric Acid SCHEMBL27583166 0.91 HRH3 (0.61) HRH3ALDH1A1TSHRTAAR1ALDH2
SCHEMBL28314964 0.88 HRH3 (0.58) HRH3ALDH1A1TSHRTAAR1ALDH2
SCHEMBL28720286 0.86 HRH3 (0.77) HRH3ALDH1A1TSHRTAAR1ESR1
SCHEMBL28271160 0.84 HRH3 (0.54) HRH3ALDH1A1TSHRTAAR1ALDH2
SCHEMBL28185500 0.83 ESR1 (0.46) HRH3ALDH1A1TSHRTAAR1ALDH2
SCHEMBL659509 0.80 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1ACHE
SCHEMBL23601608 0.78 ALDH1A1 (0.46) HRH3ALDH1A1TSHRALDH2ESR1

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
CN-101035858-A Polyoxymethylene resin composition having an excellent heat stability KOREA ENG PLASTICS CO LTD (KR) 2007-09-12 CN disclosed