SCHEMBL7708872

SCHEMBL7708872

CC1=CCC(c2[c]c3c(cc2)-c2ccccc2C3)=C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 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
SCHEMBL312235 0.77 SRD5A2 (0.33) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL217877 0.76 ALDH1A1 (0.36) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL216860 0.72 ALDH1A1 (0.38) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL2974240 0.72 ALDH1A1 (0.36) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL216980 0.72 ALDH1A1 (0.40) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL2971150 0.71 KDM4E (0.30) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL6571163 0.70 MEN1 (0.38) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL5718001 0.70 PNMT (0.39) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL3444458 0.70 CYP1A2 (0.30)
SCHEMBL2965677 0.70 ALDH1A1 (0.36) KDM4ENPC1ALDH1A1LMNAMAPT

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-6369175-B1 ACTIVATING METALLOCENE CATALYST WITH METHYLALUMINOXANE; CATALYTIC ADDITION HOMOPOLYMERIZATION; BLENDING WITH SYNDIOTACTIC POLYPROPYLENE; PLASTICIZERS FINA TECHNOLOGY, INC. 2002-04-09 US claimed