SCHEMBL4436997

SCHEMBL4436997

CCCCCC(=O)CCc1cc(C(C)C)c(O)cc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.74
IAPP P10997 4/20 0.45
PKM P14618 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
FFAR1 O14842 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36

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
SCHEMBL6661840 0.82 TRPV1 (0.60) TRPV1PKMCYP1A2CYP2D6MAPK1
SCHEMBL6235501 0.79 TRPV1 (0.56) TRPV1PKMCYP1A2CYP2D6MAPK1
SCHEMBL10503849 0.78 TRPV1 (0.56) TRPV1PKMCYP1A2CYP2D6MAPK1
SCHEMBL1245168 0.76 CYP1A2 (0.57) TRPV1PKMCYP1A2CYP2D6MAPK1
SCHEMBL7193940 0.73 TRPV1 (0.62) TRPV1PKMCYP1A2CYP2D6MAPK1
SCHEMBL28228079 0.73 CYP1A2 (0.54) TRPV1PKMCYP1A2CYP2D6MAPK1
SCHEMBL12260115 0.71 TRPV1 (0.49) TRPV1PKMCYP1A2CYP2D6CYP3A4
Thymol SCHEMBL4436995 0.71 TRPA1 (0.58) TRPV1IAPPPKMCYP1A2CYP3A4
SCHEMBL10271616 0.71 TRPV1 (0.48) TRPV1PKMCYP1A2CYP2D6MAPK1
SCHEMBL69265 0.70 CYP1A2 (0.58) TRPV1PKMCYP1A2CYP2D6MAPK1

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-2043620-A2 COMPOSITIONS AND METHODS FOR TREATING PARASITIC INFECTIONS Tyratech, Inc. (US) 2009-04-08 EP disclosed
WO-2008003007-A2 COMPOSITIONS AND METHODS FOR TREATING PARASITIC INFECTIONS TYRATECH, INC. (US) 2008-01-03 WO disclosed