SCHEMBL6237215

SCHEMBL6237215

CCC(NC(N)=O)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DPP7 Q9UHL4 1/20 0.38
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
EPHX2 P34913 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TSHR P16473 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
SCHEMBL2672544 0.75 DPP7 (0.38) MAPTALDH1A1DPP7LMNAL3MBTL1
SCHEMBL21342215 0.73 ALDH1A1 (0.38) MAPTALDH1A1
Benzene SCHEMBL9194311 0.73 ALDH1A1 (0.42) MAPTALDH1A1LMNASLC6A3TSHR
SCHEMBL491867 0.73 EPHX1 (0.62) ALDH1A1EPHX2MAPK1SMN1; SMN2
SCHEMBL1007520 0.72 LMNA (0.53) MAPTDPP7LMNACA12CA1
SCHEMBL1005671 0.72 LMNA (0.53) MAPTDPP7LMNACA12CA1
SCHEMBL1007666 0.72 LMNA (0.53) MAPTDPP7LMNACA12CA1
SCHEMBL5911214 0.72 ALDH1A1 (0.33) MAPTALDH1A1FDPS
SCHEMBL9531051 0.72 CTSK (0.47) CA1CA2CA7L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL6696404 0.71 LMNA (0.51) MAPTDPP7LMNACA12CA1

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-1534766-A1 PROCESS FOR PREPARING POLYURETHANE FOAM GENERAL ELECTRIC COMPANY (US) 2005-06-01 EP claimed
WO-2004013201-A1 PROCESS FOR PREPARING POLYURETHANE FOAM GENERAL ELECTRIC COMPANY (US) 2004-02-12 WO claimed