Heptanoate

Heptanoate

SCHEMBL30184657

CCCCCCC(=O)O.c1c[nH]cn1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.57
PPARD Q03181 8/20 0.57
PPARA Q07869 8/20 0.57
GPR84 Q9NQS5 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
TSHR P16473 5/20 0.57
ALDH1A1 P00352 5/20 0.57
PTPN1 P18031 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
FABP4 P15090 3/20 0.57
TLR2 O60603 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
FFAR1 O14842 2/20 0.57
FFAR4 Q5NUL3 2/20 0.57
FABP3 P05413 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MEN1 O00255 1/20 0.57

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
Palmitic Acid SCHEMBL27556969 1.00 PPARG (0.57) PPARGPPARDPPARAGPR84HDAC11
Stearic Acid SCHEMBL27465235 1.00 PPARG (0.57) PPARGPPARDPPARAGPR84HDAC11
Octanoic Acid SCHEMBL28260834 1.00 PPARG (0.57) PPARGPPARDPPARAGPR84HDAC11
Decanoic Acid SCHEMBL28324401 1.00 PPARG (0.57) PPARGPPARDPPARAGPR84HDAC11
Arachidic Acid SCHEMBL28899025 1.00 PPARG (0.57) PPARGPPARDPPARAGPR84HDAC11
Dodecanoate SCHEMBL21647325 1.00 PPARG (0.57) PPARGPPARDPPARAGPR84HDAC11
Dodecanoate SCHEMBL29512288 1.00 PPARG (0.57) PPARGPPARDPPARAGPR84HDAC11
Octanoic Acid SCHEMBL1663416 0.98 PPARG (0.55) PPARGPPARDPPARAGPR84HDAC11
Hexanoate SCHEMBL2543601 0.98 AKR1B1 (0.55) PPARGPPARDPPARAGPR84HDAC11
Hexanoate SCHEMBL29365616 0.97 AKR1B1 (0.53) PPARGPPARDPPARAGPR84HDAC11

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
WO-2023015797-A1 ZWITTERIONIC LIQUID SILANE COUPLING AGENT, SYNTHESIS METHOD, AND USE THEREOF 中国科学院深圳先进技术研究院 2023-02-16 WO disclosed