SCHEMBL807718

SCHEMBL807718

CC(C)=CCC/C(C)=C/CNC(=O)c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.57
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FNTA P49354 4/20 0.49
FNTB P49356 3/20 0.49
PGGT1B P53609 2/20 0.49
TRPA1 O75762 2/20 0.48
HPGD P15428 1/20 0.48
ICMT O60725 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL13142541 0.90 TRPV1 (0.61) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL3080773 0.90 TRPV1 (0.61) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL794998 0.86 TRPV1 (0.57) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL794999 0.86 TRPV1 (0.57) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL3082365 0.85 TRPV1 (0.56) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL13142540 0.85 TRPV1 (0.56) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL17007389 0.84 TRPV1 (0.55) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL318354 0.84 TRPV1 (0.55) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL4751316 0.84 TRPV1 (0.55) TRPV1FNTAFNTBPGGT1BTRPA1
SCHEMBL795289 0.82 TRPV1 (0.65) TRPV1FNTAFNTBPGGT1BTRPA1

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
WO-2012034232-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2012-03-22 WO disclosed