SCHEMBL4440889

SCHEMBL4440889

O=C(O)NCCc1cccc(C(F)(F)F)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
EPHX2 P34913 3/20 0.40
LIPG Q9Y5X9 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLQ O75417 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL382068 0.86 CNR1 (0.60) CNR1POLBGAAMAPTEPHX2
SCHEMBL168194 0.84 CNR1 (0.46) CNR1POLBGAAMAPTEPHX2
SCHEMBL11576902 0.79 IAPP (0.54)
SCHEMBL4597984 0.78 LMNA (0.47) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL9861604 0.75 GABRA1 (0.64) POLBGAAKDM4EALDH1A1TDP1
SCHEMBL23195320 0.74 CNR1 (0.58) CNR1POLBGAAMAPTEPHX2
SCHEMBL26622116 0.73 P2RX7 (0.44) CNR1EPHX2ALDH1A1HDAC1
SCHEMBL3232626 0.72 EPHX2 (0.62) CNR1POLBGAAEPHX2KDM4E
SCHEMBL1011164 0.72 CNR1 (0.59) CNR1POLBGAAMAPTLIPG
SCHEMBL7637774 0.72 CNR1 (0.59) CNR1POLBGAAMAPTEPHX2

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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed