SCHEMBL7918762

SCHEMBL7918762

CC1(C)C=C(CCCCCCCCCCCCO)C(=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.31
CYP19A1 P11511 1/20 0.31
LMNA P02545 1/20 0.30
PGR P06401 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAOA P21397 1/20 0.30
TBXA2R P21731 1/20 0.30
MAPK1 P28482 1/20 0.30
AVPR2 P30518 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR2B P41595 1/20 0.30
HTT P42858 1/20 0.30
PDE3A Q14432 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SLC29A1 Q99808 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7021463 1.00 ALOX5 (0.31) ALOX5CYP19A1LMNAPGRCYP3A4
SCHEMBL8145052 1.00 ALOX5 (0.31) ALOX5CYP19A1LMNAPGRCYP3A4
SCHEMBL4274542 0.93 APP (0.30)
SCHEMBL4277381 0.86
SCHEMBL4279188 0.85 ACHE (0.41) ALOX5CYP19A1
SCHEMBL4274303 0.85 ACHE (0.41) ALOX5CYP19A1
SCHEMBL4278987 0.81 CYP19A1 (0.37) CYP19A1
SCHEMBL4267434 0.80
SCHEMBL4266616 0.79 CYP19A1 (0.30) CYP19A1
SCHEMBL4271420 0.78 CYP19A1 (0.35) CYP19A1

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-6228893-B1 TREATING DEMENTIA MEIJI MILK PRODUCTS CO., LTD. (JP) 2001-05-08 US claimed