SCHEMBL4607227

SCHEMBL4607227

C=C(CC=CN1CCCC1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.35
BLM P54132 1/20 0.35
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
PIK3CD O00329 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL27747086 0.83 TSHR (0.41) KMT2ATSHRLMNABLMHTT
SCHEMBL578210 0.76 TSHR (0.35) KMT2ATSHRLMNABLM
SCHEMBL12004405 0.74 TSHR (0.40) KMT2ATSHRLMNABLMHTT
Itaconate SCHEMBL17687381 0.74 ALOX15 (0.47) KMT2ATSHRLMNABLMHTT
SCHEMBL5292581 0.74 LMNA (0.36) KMT2ATSHRLMNABLMHTT
SCHEMBL5859538 0.74 TSHR (0.33) KMT2ATSHRLMNAPIK3CDCA12
SCHEMBL10443872 0.73 LMNA (0.37) KMT2ATSHRLMNABLMALDH1A1
SCHEMBL12004402 0.72 PIK3CD (0.38) KMT2ATSHRLMNABLMALDH1A1
SCHEMBL12004403 0.72 PIK3CD (0.38) KMT2ATSHRLMNABLMALDH1A1
Methacrylic Acid SCHEMBL8431749 0.72 BLM (0.40) KMT2ATSHRLMNABLMHTT

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
EP-0685535-B1 Radiation-curable compositions UCB SA (BE) 1998-01-07 EP claimed
EP-1597326-B1 RADIOHARDENABLE PRINTING MEDIA, TRANSFER PICTURES PRODUCED THEREWITH, AND METHOD FOR PRODUCING CERAMIC DECORATIONS FERRO GMBH (DE) 2008-01-02 EP disclosed