SCHEMBL9336802

SCHEMBL9336802

C=C(C)C(=O)NC(CC)CO.C=C(C)C(=O)NCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
LMNA P02545 3/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1019013 0.85 TGFBR1 (0.46) TGFBR1LMNACYP2C19HIF1AKDM4E
SCHEMBL28246144 0.85 TGFBR1 (0.55) TGFBR1LMNACNR1ADRA1ATDP1
SCHEMBL1944434 0.85 TGFBR1 (0.55) TGFBR1LMNACNR1ADRA1ATDP1
SCHEMBL14931 0.78 TGFBR1 (0.37) TGFBR1LMNA
SCHEMBL3738357 0.76 TGFBR1 (0.41) TGFBR1LMNACYP2C19HIF1ATDP1
SCHEMBL11674951 0.76 TGFBR1 (0.50) TGFBR1LMNACNR1ADRA1ATDP1
SCHEMBL274760 0.76 TGFBR1 (0.61) TGFBR1LMNACNR1ADRA1ATDP1
SCHEMBL11118599 0.72 TGFBR1 (0.52) TGFBR1CNR1ADRA1ATDP1
SCHEMBL28346307 0.72 TGFBR1 (0.39) TGFBR1LMNACYP2C19HIF1A
SCHEMBL548381 0.72 TGFBR1 (0.35) TGFBR1ADRA1ATDP1

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-0596023-A1 PAINT COMPOSITION J.C. HEMPEL'S SKIBSFARVE-FABRIK A/S (DK) 1994-05-11 EP disclosed
WO-1993002146-A1 PAINT COMPOSITION J.C. HEMPEL'S SKIBSFARVE-FABRIK A/S (DK) 1993-02-04 WO disclosed