SCHEMBL8714112

SCHEMBL8714112

CCCCOC(=O)CO[C@H]1CC[C@H](N)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
NAAA Q02083 3/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.37
HTR2C P28335 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
DGKA P23743 1/20 0.36
TSHR P16473 2/20 0.36
TLR2 O60603 2/20 0.35
HPGD P15428 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
FAAH O00519 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
SCHEMBL8714110 1.00 SMYD3 (0.40) SMYD3NAAAALDH1A1ATMHTR2C
SCHEMBL8904686 0.85 SMYD3 (0.49) SMYD3ALDH1A1L3MBTL1TSHR
SCHEMBL23498853 0.85 SMYD3 (0.49) SMYD3ALDH1A1L3MBTL1TSHR
SCHEMBL8904681 0.85 SMYD3 (0.49) SMYD3ALDH1A1L3MBTL1TSHR
SCHEMBL5604986 0.84 NAAA (0.49) NAAAALDH1A1ATMTDP1L3MBTL1
SCHEMBL25545688 0.79 NAAA (0.41) NAAAALDH1A1ATMTDP1L3MBTL1
SCHEMBL28985348 0.78 NAAA (0.54) NAAAHTR2CPRSS1PRSS2PRSS3
SCHEMBL31722366 0.78 NAAA (0.42) NAAAALDH1A1ATMTDP1L3MBTL1
SCHEMBL21384249 0.78 NAAA (0.42) NAAAALDH1A1ATMTDP1L3MBTL1
SCHEMBL19667809 0.77 GNAI3 (0.37) SMYD3NAAAALDH1A1TDP1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed