SCHEMBL14969772

SCHEMBL14969772

CCC(=CC(=O)OC)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
ALDH1A1 P00352 5/20 0.63
LMNA P02545 4/20 0.63
GAA P10253 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.52
HTT P42858 3/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 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
SCHEMBL3198298 1.00 MAPT (0.63) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3198294 1.00 MAPT (0.63) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL8338435 0.90 ALDH1A1 (0.54) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13377968 0.89 SMN1; SMN2 (0.68) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13377971 0.85 MAPT (0.55) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL8342632 0.84 MAPT (0.57) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3196296 0.84 ALDH1A1 (0.50) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL3196309 0.84 ALDH1A1 (0.50) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL13377982 0.83 MAPT (0.67) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL2879006 0.83 MAPT (0.67) MAPTALDH1A1LMNAGAASMN1; SMN2

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
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 EP disclosed