Butane

Butane

SCHEMBL11544800

CCCC.O=[PH](O)OCCc1ccc(O)cc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.46
SLC6A2 P23975 4/20 0.46
ADRA2A P08913 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CHRM1 P11229 2/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46
HIF1A Q16665 1/20 0.46
TST Q16762 1/20 0.46

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
SCHEMBL437757 0.93 ESR1 (0.50) ESR1SLC6A2ADRA2AKDM4EALDH1A1
Butane SCHEMBL248656 0.84 TDP1 (0.42) ESR1ALDH1A1ESR2TDP1NPC1
Butane SCHEMBL8002745 0.84 IDO1 (0.42) ESR1SLC6A2ADRA2AKDM4EALDH1A1
Biphenyl SCHEMBL11546378 0.83 ESR1 (0.46) ESR1SLC6A2ADRA2AKDM4EALDH1A1
Butane SCHEMBL8387926 0.81 THRB (0.39) ALDH1A1LMNAL3MBTL1TDP1KMT2A
SCHEMBL13284437 0.80 CYP1A2 (0.47) TAAR1L3MBTL1TDP1KMT2ANPC1
SCHEMBL437758 0.80 ESR1 (0.52) ESR1SLC6A2ADRA2AKDM4EALDH1A1
SCHEMBL22973728 0.77 CES2 (0.36) ALDH1A1CYP3A4HIF1ANPC1RAB9A
SCHEMBL27190586 0.77 TAAR1 (0.47) KDM4ETAAR1L3MBTL1KMT2A
SCHEMBL2817046 0.76 TDP1 (0.47) ESR1ALDH1A1SLC6A3LMNATP53

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-4168365-A Flame-retardant phenolic resin MATSUSHITA ELECTRIC WORKS, LTD. (JP) 1979-09-18 US claimed
US-4168365-A Flame-retardant phenolic resin MATSUSHITA ELECTRIC WORKS, LTD. (JP) 1979-09-18 US disclosed