SCHEMBL7943508

SCHEMBL7943508

COc1ccc(CCNC(=O)[C@@H](N)CC(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 3/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.44
FPR2 P25090 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL7943484 0.87 MTNR1A (0.47) KMT2AALDH1A1MEN1CA1CA2
Trifluoroacetic Acid SCHEMBL7943506 0.86 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL11713117 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AGLAGAAFPR2
SCHEMBL6977801 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AGLAGAAFPR2
SCHEMBL7955831 0.80 CYP2D6 (0.50) KMT2A
Trifluoroacetic Acid SCHEMBL7104230 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AGLAGAAFPR2
SCHEMBL17152386 0.78 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL9221733 0.78 MAPT (0.55) SMN1; SMN2KMT2AGLAGAAFPR2
SCHEMBL13073347 0.74 KMT2A (0.63) SMN1; SMN2KMT2AGAAFPR2ALDH1A1
Trifluoroacetic Acid SCHEMBL7943480 0.74 KDM4E (0.49) KMT2AALDH1A1MEN1CA1CA2

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-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed