SCHEMBL3378260

SCHEMBL3378260

CC(=CCCC1(c2ccccc2)COC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.39
TSHR P16473 1/20 0.38
AKR1C3 P42330 1/20 0.37
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
PPARG P37231 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ICMT O60725 1/20 0.35
ALOX5 P09917 4/20 0.34
NR1I2 O75469 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL3375934 0.92 TSHR (0.36) CD81TSHRAKR1C3PTGS2BACE1
SCHEMBL3379293 0.85 TSHR (0.40) TSHRAKR1C3CHRM2CHRM4CHRM5
SCHEMBL3376619 0.78 CYP2C9 (0.38) CD81AKR1C3PTGS2BACE1PPARG
SCHEMBL3374503 0.73 CD81 (0.49) CD81PTGS2BACE1PPARGALOX5
SCHEMBL3376036 0.73 CYP2C9 (0.36) CD81AKR1C3PTGS2BACE1PPARG
SCHEMBL3380377 0.71 ACSS2 (0.43) TSHRPTGS2ICMT
SCHEMBL3375043 0.71 CD81 (0.43) CD81PTGS2BACE1PPARGALOX5
SCHEMBL3378011 0.70 CD81 (0.42) CD81PTGS2BACE1PPARGALOX5
SCHEMBL3081440 0.70 CD81 (0.51) CD81PTGS2BACE1PPARGALOX5
SCHEMBL16293142 0.70 TSHR (0.54) TSHRL3MBTL1

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