SCHEMBL3284648

SCHEMBL3284648

C=CC(=O)OC(C)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Bromide SCHEMBL29161131 0.98 SIGMAR1 (0.42) SIGMAR1KMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL28458295 0.98 SIGMAR1 (0.42) SIGMAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL11307946 0.85 SIGMAR1 (0.46) SIGMAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL11876889 0.81 KDM4E (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL27760557 0.81 SIGMAR1 (0.49) SIGMAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL11876909 0.81 SIGMAR1 (0.50) SIGMAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL11313342 0.79 NPC1 (0.50) SIGMAR1KMT2AMEN1TSHRCYP2C19
Hydrochloric Acid SCHEMBL9442163 0.78 SIGMAR1 (0.42) SIGMAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL9646933 0.78 CTSK (0.47) KMT2AMEN1TSHR
SCHEMBL988047 0.76 TGM2 (0.44) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed
US-7699941-B2 Polymeric surface treatment compositions THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US disclosed