Sugi Predict

Sugi Predict / Compounds / Isobutane

Isobutane

Isobutane

SCHEMBL28175359

C=CC(=O)OCCN=C=O.CC(C)C

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.47
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ HIF1A Q16665 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ THRB P10828 2/20 0.39
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL124929 0.93 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23633199 0.93 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29547475 0.91 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21409480 0.91 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28223119 0.90 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL29220917 0.88 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL28329548 0.88 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL28441854 0.88 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Formic Acid SCHEMBL28861141 0.88 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28294298 0.88 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A

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-107075166-A foam and foam sheet 日东电工株式会社 2017-08-18 — — CN disclosed