SCHEMBL11035308

SCHEMBL11035308

C=CCOC(=O)C(C=O)Cc1ccc(C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.34
CPB2 Q96IY4 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
GRM2 Q14416 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTAFR P25105 1/20 0.31
SNCA P37840 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
SCHEMBL7011927 0.87 CPB2 (0.43) SMN1; SMN2TSHRPOLBCYP3A4CPB2
SCHEMBL10969381 0.84 TSHR (0.40) SMN1; SMN2TSHRPOLBCYP3A4CPB2
SCHEMBL10660485 0.82 CPB2 (0.40) SMN1; SMN2TSHRPOLBCYP3A4CPB2
SCHEMBL11235663 0.81 FDPS (0.43) POLBCYP3A4KMT2AMAPTKDM4E
SCHEMBL11022295 0.79 TSHR (0.46) SMN1; SMN2TSHRPOLBCPB2KMT2A
SCHEMBL10646874 0.76 CYP3A4 (0.47) SMN1; SMN2TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL10663309 0.75 TSHR (0.45) SMN1; SMN2TSHRPOLBCYP3A4KDM4E
SCHEMBL10850760 0.74 SMN1; SMN2 (0.44) SMN1; SMN2TSHRPOLBCYP3A4CPB2
SCHEMBL10662468 0.73 P2RX7 (0.39) SMN1; SMN2TSHRCYP3A4KMT2AMAPT
SCHEMBL10741906 0.73 ACACB (0.40) SMN1; SMN2CPB2KMT2AMAPTKDM4E

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-0070185-B1 PREPARATION OF LOWER ALKYL 2-FORMYL-3-(6-METHYL-3-PYRIDINYL)-PROPIONATES SMITHKLINE BECKMAN CORPORATION (US) 1985-04-10 EP disclosed
EP-0070185-A1 Preparation of lower alkyl 2-formyl-3-(6-methyl-3-pyridinyl)-propionates SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 EP disclosed