SCHEMBL8735699

SCHEMBL8735699

C=C(C)C(=O)NC(N)CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.43
ANPEP P15144 4/20 0.36
RNPEP Q9H4A4 3/20 0.36
DNPEP Q9ULA0 3/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
TSHR P16473 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL28648657 0.83 TGFBR1 (0.50) TGFBR1TDP1
SCHEMBL4563862 0.79 TGFBR1 (0.42) TGFBR1SLC1A3SLC1A2SLC1A1CA1
SCHEMBL6240724 0.78 TGFBR1 (0.41) TGFBR1SLC1A2SLC1A1TSHR
SCHEMBL29020061 0.78 TGFBR1 (0.41) TGFBR1ANPEP
SCHEMBL340694 0.78 TGFBR1 (0.47) TGFBR1RXFP1TDP1
Hydrochloric Acid SCHEMBL28412043 0.76 TGFBR1 (0.46) TGFBR1RXFP1TDP1
Hydrochloric Acid SCHEMBL4442289 0.76 TGFBR1 (0.46) TGFBR1RXFP1TDP1
SCHEMBL717760 0.74
Hydrochloric Acid SCHEMBL411710 0.74 TGFBR1 (0.44) TGFBR1RXFP1TDP1
SCHEMBL472236 0.73 TGFBR1 (0.43) TGFBR1TSHRRXFP1CA1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647143-B1 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING & MFG (US) 1998-01-28 EP claimed
EP-0647143-A1 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-12 EP claimed
US-5292514-A Hydrogel coupled to biologically active material through azalactone moiety MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-08 US claimed
WO-1994000165-A2 AZLACTONE-FUNCTIONAL SUBSTRATES, CORNEAL PROSTHESES, AND MANUFACTURE AND USE THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-01-06 WO claimed