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Hexanoate

Hexanoate

SCHEMBL8076130

CCCCCC(=O)O.O=C(CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ EPHX2 P34913 5/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ FAAH O00519 1/20 0.38

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
SCHEMBL8083462 0.90 LMNA (0.40) HPGDEPHX2SIRT2KIF11
SCHEMBL13555716 0.87 KIF11 (0.44) HPGDSIRT2KIF11
SCHEMBL974918 0.87 SIRT2 (0.49) HPGDSIRT2KIF11
Ammonia Solution, Strong SCHEMBL7894551 0.85 SIRT2 (0.48) HPGDSIRT2KIF11
SCHEMBL29032265 0.83 SIRT2 (0.43) HPGDSIRT2KIF11
SCHEMBL21765843 0.80 RAB9A (0.51) HPGDMEN1KMT2ASIRT2
SCHEMBL18175275 0.80 SIRT2 (0.43) HPGDSIRT2KIF11
SCHEMBL11885305 0.79 KIF11 (0.45) HPGDMEN1KMT2ASIRT2KIF11
SCHEMBL19645877 0.78 TAAR1 (0.53) HPGDEPHX2MEN1KMT2AKIF11
SCHEMBL23299715 0.78 LMNA (0.52) HPGDKDM4EKIF11ATM

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
EP-1046401-A2 Fatty acid derivative labelled with a radioactive transition metal NIHON MEDI-PHYSICS Co., Ltd. (JP) 2000-10-25 — — EP disclosed