SCHEMBL18124153

SCHEMBL18124153

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
TSHR P16473 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL167251 0.89 TGFBR1 (0.42) TGFBR1TSHRRXFP1ALDH1A1
SCHEMBL5693063 0.81 TGFBR1 (0.44) TGFBR1TSHRRXFP1ALDH1A1
SCHEMBL7961747 0.79 TGFBR1 (0.43) TGFBR1TSHRALDH1A1
SCHEMBL10388827 0.79 TGFBR1 (0.43) TGFBR1TSHRALDH1A1
SCHEMBL9139203 0.79 TGFBR1 (0.40) TGFBR1TSHRRXFP1
SCHEMBL4594544 0.76 TGFBR1 (0.41) TGFBR1ALDH1A1
SCHEMBL640988 0.76 TGFBR1 (0.42) TGFBR1TSHRRXFP1ALDH1A1
SCHEMBL8847175 0.75 TGFBR1 (0.40) TGFBR1
SCHEMBL18124154 0.74 TSHR (0.50) TSHRALDH1A1
SCHEMBL9653301 0.74 THRB (0.41) TGFBR1TSHR

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
EP-2267048-B1 FLUOROPOLYMER AND WATER-REPELLENT AND OIL-REPELLENT AGENT DAIKIN IND LTD (JP) 2016-10-12 EP claimed