SCHEMBL7971401

SCHEMBL7971401

COC1=C(OC)C(=O)C2=C(CC(CCCCCCCCO)(c3ccccc3)C2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PGR P06401 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPK1 P28482 1/20 0.40
AVPR2 P30518 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 1/20 0.40
PDE3A Q14432 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SLC29A1 Q99808 1/20 0.40
ALOX5 P09917 7/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 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
SCHEMBL7974408 0.87 EPHX2 (0.39) LMNAMAPTTBXA2RMMP2MMP3
SCHEMBL7961222 0.78 OPRM1 (0.36) MAOATSHROPRM1OPRL1KCNA3
SCHEMBL7972852 0.76 LMNA (0.44) LMNACYP3A4CYP2D6MAPTCYP2C9
SCHEMBL7974475 0.71 CYP4F2 (0.43) LMNACYP3A4CYP2D6MAPTCYP2C9
SCHEMBL7974447 0.70 CYP4F2 (0.43) LMNACYP3A4CYP2D6MAPTCYP2C9
SCHEMBL15795307 0.67 SLC6A4 (0.54) LMNAMAOAHTTOPRM1OPRL1
SCHEMBL7973063 0.67 MMP2 (0.32) MMP2MMP3MMP9TSHROPRM1
SCHEMBL27377646 0.66 HTR2A (0.46) CYP2D6OPRM1OPRL1
SCHEMBL31147331 0.65 MEN1 (0.50) LMNAMAPTCYP2C9MAOAHTT
SCHEMBL7961297 0.65 L3MBTL1 (0.33) MMP2MMP3MMP9ALDH1A1MEN1

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed