SCHEMBL25824860

SCHEMBL25824860

CCC(C)CCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
KCNH2 Q12809 3/20 0.45
TMEM97 Q5BJF2 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
AOC3 Q16853 1/20 0.42
TRPA1 O75762 1/20 0.41
DPP4 P27487 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL1979236 0.87 CHRNB2 (0.38) TAAR1KDM4E
SCHEMBL28767831 0.86 KCNH2 (0.44) TAAR1KCNH2TMEM97SIGMAR1L3MBTL1
SCHEMBL28383696 0.83 TAAR1 (0.48) TAAR1L3MBTL1MAPK1TDP1
SCHEMBL8023760 0.80 AOC3 (0.52) TAAR1KCNH2TMEM97SIGMAR1L3MBTL1
SCHEMBL22340602 0.79 TAAR1 (0.40) TAAR1
SCHEMBL9766501 0.79 CHRNB2 (0.35) TAAR1KDM4E
SCHEMBL19231716 0.79 HRH3 (0.41) TAAR1
SCHEMBL11582747 0.79 ESR1 (0.52) TAAR1KCNH2TMEM97SIGMAR1L3MBTL1
SCHEMBL9909393 0.78 TRPA1 (0.53) TAAR1TRPA1TDP1MAOB
SCHEMBL13165979 0.78 TRPA1 (0.53) TAAR1TRPA1TDP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795315-B2 Group 5 metal complexes for producing amine-functionalized polyolefins THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-10-24 US disclosed
EP-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP disclosed