SCHEMBL3379280

SCHEMBL3379280

C=C(C(=O)O)C(C)C1(c2ccccc2)COC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 2/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
TDP1 Q9NUW8 1/20 0.35
AKR1C1 Q04828 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HDAC4 P56524 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL3378257 0.81 CHRM2 (0.35) ALDH1A1LMNAMAPTSMN1; SMN2ATM
SCHEMBL3375931 0.80 ALDH1A1 (0.35) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL3379257 0.75 HPGD (0.36) ALDH1A1LMNAMAPTSMN1; SMN2ATM
SCHEMBL3380376 0.74 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2CHRM2CHRM4
SCHEMBL21937925 0.74 CYP2D6 (0.37) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL780494 0.71
SCHEMBL24663621 0.67 AKR1C1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL27742157 0.67 AKR1C1 (0.42) ALDH1A1SMN1; SMN2TDP1AKR1C1OPRM1
SCHEMBL3377292 0.67 LMNA (0.38) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL782172 0.67

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