SCHEMBL11005278

SCHEMBL11005278

CCC(=O)C(C)(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
LMNA P02545 7/20 0.59
FFAR1 O14842 1/20 0.58
ALDH1A1 P00352 6/20 0.56
LIPE Q05469 1/20 0.55
RAB9A P51151 1/20 0.52
HTT P42858 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
POLB P06746 1/20 0.50
XBP1 P17861 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3672006 0.85 SMN1; SMN2 (0.66) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL8795412 0.80 SMN1; SMN2 (0.58) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL8795409 0.80 SMN1; SMN2 (0.58) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL10715450 0.80 SMN1; SMN2 (0.58) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL8909901 0.78 LMNA (0.66) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL6916180 0.78 LMNA (0.66) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL11360493 0.78 SMN1; SMN2 (0.71) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL9362340 0.78 SMN1; SMN2 (0.76) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL29863077 0.78 SMN1; SMN2 (0.76) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL28343740 0.78 SMN1; SMN2 (0.57) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4561882-A HERBICIDES ZOECON CORPORATION (US) 1985-12-31 US disclosed