SCHEMBL9316640

SCHEMBL9316640

C=C(C)C(=O)NC(OC)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL36513 0.83 TGFBR1 (0.50) TGFBR1ALDH1A1RXFP1
SCHEMBL14460489 0.78 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL713452 0.78 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL5451737 0.77 CA14 (0.43) TGFBR1ALDH1A1SMN1; SMN2TSHRRXFP1
SCHEMBL194054 0.77 TGFBR1 (0.42) TGFBR1ALDH1A1SMN1; SMN2TSHRRXFP1
SCHEMBL5497463 0.77 CA14 (0.43) TGFBR1ALDH1A1SMN1; SMN2TSHRRXFP1
SCHEMBL11333254 0.76 TGFBR1 (0.45) TGFBR1ALDH1A1TSHRRXFP1
SCHEMBL7698203 0.76 TGFBR1 (0.45) TGFBR1ALDH1A1TSHRRXFP1
SCHEMBL28908032 0.75 TGFBR1 (0.41) TGFBR1ALDH1A1SMN1; SMN2TSHRRXFP1
Methoxymethane SCHEMBL9316644 0.75 TGFBR1 (0.41) TGFBR1ALDH1A1SMN1; SMN2TSHRRXFP1

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-5369204-A Low molecular weight acrylamidoglycolate crosslinker and process CYTEC TECHNOLOGY CORP. (US) 1994-11-29 US disclosed