SCHEMBL7271237

SCHEMBL7271237

CC(N)=CC(=O)OCCc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7271233 1.00 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1L3MBTL1TSHR
SCHEMBL3070804 0.80 SMN1; SMN2 (0.50) SMN1; SMN2POLBALDH1A1L3MBTL1TSHR
SCHEMBL7658914 0.80 POLB (0.57) SMN1; SMN2POLBALDH1A1L3MBTL1TSHR
SCHEMBL28643500 0.79 THRB (0.51) SMN1; SMN2POLBALDH1A1L3MBTL1TSHR
SCHEMBL22920686 0.79 SMN1; SMN2 (0.47) SMN1; SMN2POLBALDH1A1L3MBTL1TSHR
SCHEMBL22691765 0.76 SMN1; SMN2 (0.53) SMN1; SMN2POLBALDH1A1L3MBTL1TSHR
SCHEMBL10923640 0.76 HCAR2 (0.59) SMN1; SMN2ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL3295702 0.76 TSHR (0.39) ALDH1A1TSHRMAPTCYP3A4CYP2C19
Acrylic Acid SCHEMBL31590930 0.75 THRB (0.51) SMN1; SMN2POLBALDH1A1L3MBTL1TSHR
SCHEMBL28860065 0.75 NPC1 (0.54) SMN1; SMN2POLBALDH1A1L3MBTL1TSHR

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-0207514-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1993-09-29 EP disclosed
US-4824837-A VASODILATORS SUNTORY LIMITED (JP) 1989-04-25 US disclosed
EP-0207514-A2 1,4-Dihydropyridine derivatives, process for preparing them, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-01-07 EP disclosed