Hexanoate

Hexanoate

SCHEMBL28604813

CCCCCC(=O)O.NC(=O)c1cc(CBr)nc(CBr)c1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.46
▸ PPARA Q07869 9/20 0.44
▸ PPARG P37231 8/20 0.44
▸ PPARD Q03181 8/20 0.44
▸ GPR84 Q9NQS5 7/20 0.44
▸ HDAC11 Q96DB2 5/20 0.44
▸ TSHR P16473 4/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ FFAR1 O14842 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TLR2 O60603 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ FABP4 P15090 2/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PDE4A P27815 1/20 0.44

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
Benzamide SCHEMBL29088340 0.81 PPARG (0.42) PPARAPPARGKMT2AMEN1APAF1
Benzamide SCHEMBL29088357 0.81 CES2 (0.44) AKR1B1PPARAPPARGPPARDGPR84
SCHEMBL30412517 0.81 BRD4 (0.40) TSHRKMT2ATDP1HSD17B10MAPT
Benzamide SCHEMBL8383228 0.73 CES2 (0.59) AKR1B1PPARAPPARGPPARDGPR84
Hexanoate SCHEMBL28824183 0.73 AKR1B1 (0.52) AKR1B1PPARAPPARGPPARDGPR84
Stearic Acid SCHEMBL830592 0.73 GPR84 (0.55) AKR1B1PPARAPPARGPPARDGPR84
Palmitic Acid SCHEMBL28888259 0.72 CES2 (0.60) AKR1B1PPARAPPARGPPARDGPR84
Octanoic Acid SCHEMBL28568630 0.72 CES2 (0.60) AKR1B1PPARAPPARGPPARDGPR84
Heptanoate SCHEMBL29036106 0.72 CES2 (0.60) AKR1B1PPARAPPARGPPARDGPR84
Stearic Acid SCHEMBL7759093 0.72 CES2 (0.60) AKR1B1PPARAPPARGPPARDGPR84

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-105592859-B Antibody-drug conjugates and their use in therapy MCSAF公司 2021-08-20 — — CN disclosed
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