SCHEMBL3376033

SCHEMBL3376033

C=C(C(=O)O)C(CCC)C1(Cc2ccccc2)COC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CTSK P43235 3/20 0.33
MME P08473 2/20 0.33
CNR2 P34972 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.31
KCNH2 Q12809 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3376617 0.91 KDM4E (0.33) POLBTSHROPRM1KCNH2SIGMAR1
SCHEMBL3379257 0.82 HPGD (0.36) CNR2TSHROPRM1MEN1KMT2A
SCHEMBL3375653 0.80 CHRM1 (0.31) HDAC1HDAC2SLC6A3
SCHEMBL3375619 0.79 CHRM1 (0.31) HDAC1HDAC2SLC6A3
SCHEMBL3375931 0.78 ALDH1A1 (0.35) POLBSLC6A2SLC6A3TSHROPRM1
SCHEMBL3378253 0.72 CHRM1 (0.32) HDAC1HDAC2SLC6A3
SCHEMBL3378257 0.71 CHRM2 (0.35) OPRM1
SCHEMBL3378008 0.70
SCHEMBL3375042 0.69
SCHEMBL3378705 0.65

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