SCHEMBL3375934

SCHEMBL3375934

CC(=CCCCC1(c2ccccc2)COC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TBXAS1 P24557 1/20 0.36
AKR1C3 P42330 1/20 0.35
CD81 P60033 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ICMT O60725 1/20 0.34
PPARD Q03181 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.33
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 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
SCHEMBL3378260 0.92 CD81 (0.39) TSHRAKR1C3CD81CHRM2CHRM4
SCHEMBL3379293 0.83 TSHR (0.40) TSHRAKR1C3CHRM2CHRM4CHRM5
SCHEMBL3376036 0.79 CYP2C9 (0.36) TBXAS1AKR1C3CD81PPARGKDM4E
SCHEMBL3378255 0.75 CD81 (0.43) CD81PPARGPTGS2BACE1
SCHEMBL3376619 0.73 CYP2C9 (0.38) AKR1C3CD81PPARGKDM4EATM
SCHEMBL3377295 0.73 EPHX2 (0.40) TSHRICMTPTGS2
SCHEMBL3375656 0.73 CD81 (0.38) CD81PPARG
SCHEMBL3375623 0.71 CD81 (0.38) CD81PPARG
SCHEMBL3089381 0.71 CD81 (0.45) CD81PPARGBACE1
SCHEMBL3380377 0.69 ACSS2 (0.43) TSHRICMTPTGS2

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