SCHEMBL3398907

SCHEMBL3398907

CC1=C(CCCCCCCCCCCCCO)C(C)(C)CCC1=O.CC1=C(CCCCCCCCCCCCO)C(C)(C)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAOA P21397 1/20 0.36
TBXA2R P21731 1/20 0.36
MAPK1 P28482 1/20 0.36
AVPR2 P30518 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
HTT P42858 1/20 0.36
PDE3A Q14432 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SLC29A1 Q99808 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL580196 1.00 TRPA1 (0.40) TRPA1MAPTLMNAPGRCYP3A4
SCHEMBL3385631 1.00 TRPA1 (0.40) TRPA1MAPTLMNAPGRCYP3A4
SCHEMBL3392105 1.00 TRPA1 (0.40) TRPA1MAPTLMNAPGRCYP3A4
SCHEMBL3390303 1.00 TRPA1 (0.40) TRPA1MAPTLMNAPGRCYP3A4
SCHEMBL3392881 1.00 TRPA1 (0.40) TRPA1MAPTLMNAPGRCYP3A4
SCHEMBL25223417 0.84 TRPA1 (0.38) TRPA1MAPTALOX15
SCHEMBL25222905 0.83 LMNA (0.38) MAPTLMNAPGRCYP3A4CYP2D6
SCHEMBL25217163 0.83 LMNA (0.38) MAPTLMNAPGRCYP3A4CYP2D6
SCHEMBL25271559 0.83 LMNA (0.38) MAPTLMNAPGRCYP3A4CYP2D6
SCHEMBL25274021 0.83 TRPA1 (0.41) TRPA1MAPTLMNAPDE3ATDP1

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
EP-1839653-B1 THERAPEUTIC AGENT FOR SENSORY DISORDERS MEIJI DAIRIES CORP (JP) 2010-06-09 EP claimed