Hexanoate

Hexanoate

SCHEMBL7030535

CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)OCC(CC)CCCC

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.84
CYP3A4 P08684 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
ATM Q13315 1/20 0.84
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
RECQL P46063 1/20 0.54
MAPT P10636 1/20 0.53
PAM P19021 2/20 0.51
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
AKR1B1 P15121 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA2 P00918 1/20 0.49
GPR84 Q9NQS5 2/20 0.48
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
SLC22A6 Q4U2R8 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
Palmitic Acid SCHEMBL2368494 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Decanoic Acid SCHEMBL22588932 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Stearic Acid SCHEMBL9544234 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Myristic Acid SCHEMBL20474263 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Sebacic Acid SCHEMBL21332658 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Decanoic Acid SCHEMBL25285457 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Dodecanoate SCHEMBL29493896 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Myristic Acid SCHEMBL22164003 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Palmitic Acid SCHEMBL20582684 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1
Octanoic Acid SCHEMBL28596968 0.98 TSHR (0.82) TSHRCYP3A4TDP1ATMALDH1A1

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
US-20030054103-A1 Curable coating composition, curable ink, printing method thereof and printed matter TOYO INK MFG. CO., LTD. (JP) 2003-03-20 US disclosed