SCHEMBL7972530

SCHEMBL7972530

CCC(C(=O)NC)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.39
LPAR1 Q92633 1/20 0.39

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
SCHEMBL16072485 0.91 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL1688212 0.91 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL12296853 0.91 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL7970653 0.87 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL3498225 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL12315742 0.86 LPAR1 (0.45) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL3498222 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL16075083 0.86 LPAR1 (0.45) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL16075027 0.86 LPAR1 (0.45) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL7959271 0.86 ALDH1A1 (0.44) SMN1; SMN2LMNAHTTPOLBALDH1A1

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
US-6313150-B1 FOR CONTROLLING PHYTOPATHOGENIC FUNGI SHIONOGI & CO., LTD. (JP) 2001-11-06 US disclosed
EP-0754672-B1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO (JP) 2000-10-11 EP disclosed
EP-0754672-A1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed