SCHEMBL3433705

SCHEMBL3433705

O=Cc1cc(-c2ccccc2)nn1C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ATR Q13535 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
MCL1 Q07820 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
SCHEMBL13425995 0.89 CYP4F2 (0.38) ATRRXRARXRBRXRGCYP4F2
SCHEMBL3433339 0.88 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1MCL1
SCHEMBL13425989 0.84 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL13425986 0.84 CYP4F2 (0.37) ATRCYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL27037194 0.82 CNR1 (0.40) CNR1CNR2ATRRXRARXRB
SCHEMBL21187503 0.82 CYP4F2 (0.43) CNR1CNR2ATRRXRARXRB
SCHEMBL21185042 0.80 RET (0.39) CNR1CNR2ATRRXRARXRB
SCHEMBL3044522 0.79 CNR1 (0.40) CNR1CNR2ATRRXRARXRB
SCHEMBL20389670 0.78 ALDH1A1 (0.38) ATRRXRARXRBRXRGCYP4F2
SCHEMBL3623334 0.78 RXRA (0.40) CNR1CNR2ATRRXRARXRB

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed