SCHEMBL3379259

SCHEMBL3379259

CC(=CCC1(Cc2ccccc2)COC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
AKR1C3 P42330 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 2/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3376619 0.86 CYP2C9 (0.38) CYP2C9AKR1C3NPSR1KDM4EMAPT
SCHEMBL3376036 0.84 CYP2C9 (0.36) CYP2C9AKR1C3NPSR1KDM4EMAPT
SCHEMBL664472 0.77 CD81 (0.33)
SCHEMBL3379293 0.77 TSHR (0.40) CYP2C9AKR1C3KDM4EATMGAA
SCHEMBL3378707 0.75 CD81 (0.35)
SCHEMBL29228003 0.72 MAOA (0.42) GAAOPRM1MEN1KMT2AOPRL1
SCHEMBL17420848 0.72 CD81 (0.33)
SCHEMBL1714866 0.71 GAA (0.43) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL22129920 0.71 CD81 (0.31)
SCHEMBL16245105 0.70 MAOA (0.37) KDM4EMAPTHTTGAAALDH1A1

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
US-8361376-B2 Process of making a three-dimensional object CMET INC. (JP) 2013-01-29 US disclosed
US-20100104804-A1 Three-Dimensional Object Having Smoothed Fabricated Edge Surface CMET INC. (JP) 2010-04-29 US disclosed