Hexane

Hexane

SCHEMBL28238285

CCCCCC.COC(=O)C1CCCCC1=O

nearest known ligand 0.57

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
DNTT P04053 2/20 0.44
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR4 O00206 1/20 0.40
NAAA Q02083 3/20 0.38
CYP2D6 P10635 1/20 0.38
POLB P06746 1/20 0.37
POLA1 P09884 1/20 0.37

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
Hexane SCHEMBL28557946 0.95 TSHR (0.43) MAPK1DNTTTSHRHTTSMN1; SMN2
SCHEMBL20303983 0.90 MAPK1 (0.54) MAPK1HTTSMN1; SMN2MCL1KDM4E
SCHEMBL7305358 0.90 MAPK1 (0.54) MAPK1HTTSMN1; SMN2MCL1KDM4E
SCHEMBL3171 0.90 MAPK1 (0.54) MAPK1HTTSMN1; SMN2MCL1KDM4E
SCHEMBL28194940 0.89 MAPK1 (0.41) MAPK1DNTTTSHRHTTSMN1; SMN2
SCHEMBL6248372 0.88 MAPK1 (0.53) MAPK1HTTSMN1; SMN2MCL1KDM4E
SCHEMBL1615850 0.88 MAPK1 (0.53) MAPK1HTTSMN1; SMN2MCL1KDM4E
SCHEMBL3767660 0.88 MAPK1 (0.53) MAPK1HTTSMN1; SMN2MCL1KDM4E
SCHEMBL27922653 0.88 MAPK1 (0.53) MAPK1HTTSMN1; SMN2MCL1KDM4E
SCHEMBL7199566 0.88 MAPK1 (0.53) MAPK1HTTSMN1; SMN2MCL1KDM4E

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-106008322-B sulfonamide derivatives as BC L-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2018-09-04 CN disclosed