SCHEMBL11263140

SCHEMBL11263140

CCCCCCC(N)(CCCCCC)c1cccc(C(N)(CCCCCC)CCCCCC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CA2 P00918 1/20 0.41
TNNC1 P63316 5/20 0.39
S1PR1 P21453 2/20 0.39
SGPL1 O95470 1/20 0.39
S1PR4 O95977 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SCN5A Q14524 3/20 0.38
SCN9A Q15858 3/20 0.38
SMPD1 P17405 2/20 0.38
KCNH2 Q12809 1/20 0.38
FDPS P14324 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL11278699 0.93 CA2 (0.43) CNR1CNR2CA2TNNC1S1PR1
SCHEMBL11278957 0.85 CA2 (0.46) CA2
SCHEMBL27910545 0.84 CNR1 (0.46) CNR1CNR2TNNC1S1PR1SGPL1
SCHEMBL14840313 0.81 CNR1 (0.38) CNR1CNR2TNNC1S1PR1SGPL1
Hydrochloric Acid SCHEMBL3029594 0.81 CNR2 (0.40) CNR1CNR2TNNC1S1PR1SGPL1
Hydrochloric Acid SCHEMBL3423529 0.81 CNR2 (0.40) CNR1CNR2TNNC1S1PR1SGPL1
Hydrochloric Acid SCHEMBL3025139 0.81 CNR2 (0.40) CNR1CNR2TNNC1S1PR1SGPL1
SCHEMBL17148818 0.80 CNR2 (0.49) CNR1CNR2CA2
SCHEMBL1837729 0.80 CNR2 (0.49) CNR1CNR2CA2
SCHEMBL1839805 0.80 CNR2 (0.49) CNR1CNR2CA2

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
US-4322304-A ANTIOXIDANTS PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US disclosed