SCHEMBL3379293

SCHEMBL3379293

CC(=CCC1(c2ccccc2)COC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
AKR1C3 P42330 1/20 0.39
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
ICMT O60725 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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 0.85 CD81 (0.39) TSHRAKR1C3CHRM2CHRM4CHRM5
SCHEMBL3375934 0.83 TSHR (0.36) TSHRAKR1C3CHRM2CHRM4CHRM5
SCHEMBL3379259 0.77 CYP2C9 (0.39) AKR1C3ALDH1A1MEN1KMT2AGAA
SCHEMBL16293142 0.72 TSHR (0.54) TSHRALDH1A1KMT2AGAAL3MBTL1
SCHEMBL780495 0.72 EPHX1 (0.40)
SCHEMBL1561557 0.70 MAOA (0.45) TSHRALDH1A1GAAOPRM1OPRL1
SCHEMBL16986566 0.70 TSHR (0.38) TSHRAKR1C3ICMTALDH1A1MEN1
SCHEMBL16986564 0.70 TSHR (0.38) TSHRAKR1C3ICMTALDH1A1MEN1
SCHEMBL664472 0.69 CD81 (0.33)
SCHEMBL21937563 0.69 MAOA (0.43) TSHRCHRM2CHRM4CHRM5CHRM1

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