SCHEMBL11022295

SCHEMBL11022295

Cc1ccc(CC(C=O)C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CPB2 Q96IY4 7/20 0.40
CPA1 P15085 1/20 0.38
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXAS1 P24557 1/20 0.35
CPB1 P15086 1/20 0.35
PLA2G7 Q13093 1/20 0.34
VNN1 O95497 1/20 0.34
GRM2 Q14416 1/20 0.34

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 0.84 CPB2 (0.43) TSHRSMN1; SMN2CPB2KDM4EHDAC1
SCHEMBL10969381 0.84 TSHR (0.40) TSHRSMN1; SMN2CPB2NAMPTKDM4E
SCHEMBL11035308 0.79 SMN1; SMN2 (0.36) TSHRSMN1; SMN2CPB2KDM4EPOLB
SCHEMBL12241782 0.79 TBXAS1 (0.54) TSHRSMN1; SMN2CPB2CPA1HDAC1
SCHEMBL11076008 0.79 CPB2 (0.36) CPB2CPA1KDM4EHDAC6MEN1
SCHEMBL31754263 0.78 HSD17B10 (0.57) TSHRSMN1; SMN2CPB2KDM4EMEN1
SCHEMBL26009155 0.78 HSD17B10 (0.57) TSHRSMN1; SMN2CPB2KDM4EMEN1
SCHEMBL31073988 0.78 HSD17B10 (0.57) TSHRSMN1; SMN2CPB2KDM4EMEN1
SCHEMBL28741563 0.78 HSD17B10 (0.57) TSHRSMN1; SMN2CPB2KDM4EMEN1
SCHEMBL10740513 0.77 CPB2 (0.40) CPB2CPB1

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 3 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-0087274-A2 Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-08-31 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