Butane

Butane

SCHEMBL27893070

CCCC.O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.55
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
PLA2G2A P14555 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
TP53 P04637 2/20 0.48
CA3 P07451 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

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
Hexane SCHEMBL29263834 0.89 PLA2G2A (0.62) TPMTPLA2G2AALDH1A1TP53MAPT
Alcohol SCHEMBL17592657 0.88 TPMT (0.55) TPMTCA12CA1CA2CA7
Butane SCHEMBL6727426 0.88 TPMT (0.50) TPMTCA12CA1CA2CA7
Hexane SCHEMBL28903581 0.87 PLA2G2A (0.60) TPMTPLA2G2AALDH1A1TP53MAPT
Alcohol SCHEMBL22660963 0.86 TPMT (0.52) TPMTCA12CA1CA2CA7
Isophthalic Acid SCHEMBL1483205 0.85 KMT2A (0.61) CA12CA1CA2CA9ALDH1A1
Heptane SCHEMBL29220036 0.85 PLA2G2A (0.63) PLA2G2AALDH1A1TP53MAPTTSHR
Methyl Alcohol SCHEMBL27916105 0.84 TPMT (0.63) TPMTCA12CA1CA2CA7
SCHEMBL26189 0.84 CA12 (0.65) TPMTCA12CA1CA2CA7
SCHEMBL22982 0.84 CA12 (0.65) TPMTCA12CA1CA2CA7

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
CN-102964568-B Modified di-imidazole latent curing agent for epoxy resin and preparation method for same UNIV EAST CHINA SCIENCE & TECH 2014-08-27 CN disclosed
CN-102964568-A Modified di-imidazole latent curing agent for epoxy resin and preparation method for same UNIV EAST CHINA SCIENCE & TECH 2013-03-13 CN disclosed