Hexane

Hexane

SCHEMBL11221607

CCCCCC.NC(=O)CCCCC(=O)N1CC1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.71
GNAI3 P08754 9/20 0.71
GNAI1 P63096 9/20 0.71
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
GNAO1 P09471 8/20 0.62
SOAT1 P35610 2/20 0.50
FAAH O00519 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6285463 0.92 L3MBTL1 (0.83) L3MBTL1GNAI3GNAI1MEN1KMT2A
SCHEMBL2134122 0.92 L3MBTL1 (0.83) L3MBTL1GNAI3GNAI1MEN1KMT2A
SCHEMBL693510 0.91 MEN1 (0.86) L3MBTL1GNAI3GNAI1MEN1KMT2A
Hexane SCHEMBL27682587 0.91 MEN1 (0.86) L3MBTL1GNAI3GNAI1MEN1KMT2A
SCHEMBL7060548 0.90 L3MBTL1 (0.80) L3MBTL1GNAI3GNAI1MEN1KMT2A
SCHEMBL8972823 0.90 L3MBTL1 (0.80) L3MBTL1GNAI3GNAI1MEN1KMT2A
SCHEMBL4450061 0.90 L3MBTL1 (0.80) L3MBTL1GNAI3GNAI1MEN1KMT2A
SCHEMBL1045855 0.90 L3MBTL1 (0.80) L3MBTL1GNAI3GNAI1MEN1KMT2A
SCHEMBL768398 0.90 L3MBTL1 (0.80) L3MBTL1GNAI3GNAI1MEN1KMT2A
SCHEMBL8972813 0.90 L3MBTL1 (0.80) L3MBTL1GNAI3GNAI1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108350270-A Amilan polyamide resin composition, film 宇部兴产株式会社 2018-07-31 CN disclosed
US-4343860-A Self-crimping polyamide fibers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-10 US disclosed
US-3972824-A CHLOROFORM, METHANOL, ETHANOL, HEXANE VICKSBURG CHEMICAL CO. (US) 1976-08-03 US disclosed