Octane

Octane

SCHEMBL29178019

CCCCCCCC.CCCCCCCCCCCCCCCCC(C(=O)O)C1CCN(C)C(C)(C)C1C

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.36
FFAR1 O14842 2/20 0.36
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
PTGER4 P35408 3/20 0.35
PTGER3 P43115 3/20 0.35
PTGER2 P43116 3/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
KCNH2 Q12809 1/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL29001595 1.00 GPR84 (0.36) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28538623 0.81 FFAR4 (0.47) GPR84FFAR1PPARDPTGER4PTGER3
SCHEMBL7195339 0.81 FFAR4 (0.47) GPR84FFAR1PPARDPTGER4PTGER3
SCHEMBL28889425 0.81 FFAR4 (0.47) GPR84FFAR1PPARDPTGER4PTGER3
SCHEMBL28856014 0.76 PTGER4 (0.36) FFAR1PTGER4PTGER3PTGER2FFAR4
SCHEMBL28972984 0.76 PTGER4 (0.36) FFAR1PTGER4PTGER3PTGER2FFAR4
SCHEMBL28973007 0.76 PTGER4 (0.36) FFAR1PTGER4PTGER3PTGER2FFAR4
SCHEMBL5706208 0.73 FFAR4 (0.35) FFAR1PTGER4PTGER3PTGER2FFAR4
SCHEMBL28886936 0.72 PTGER4 (0.31) PTGER4PTGER3PTGER2
Stearic Acid SCHEMBL28948752 0.71 GPR84 (0.46) GPR84FFAR1MAPTPPARDPTGER2

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-117551318-A Auxiliary agent master batch and application thereof 天津利安隆新材料股份有限公司 2024-02-13 CN claimed