SCHEMBL8667692

SCHEMBL8667692

CC(N=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MIF P14174 3/20 0.40
AAK1 Q2M2I8 1/20 0.40
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 2/20 0.38
NPC1 O15118 1/20 0.38
PLA2G7 Q13093 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4091240 1.00 MAPT (0.40) MAPTMIFAAK1RAB9ASMN1; SMN2
SCHEMBL4091245 1.00 MAPT (0.40) MAPTMIFAAK1RAB9ASMN1; SMN2
SCHEMBL11374315 0.88 PTGS2 (0.40) MAPTAAK1RAB9ASMN1; SMN2NPC1
SCHEMBL9078939 0.85 MIF (0.40) MAPTMIFRAB9ASMN1; SMN2RECQL
SCHEMBL9077488 0.85 MIF (0.40) MAPTMIFRAB9ASMN1; SMN2RECQL
SCHEMBL9077491 0.85 MIF (0.40) MAPTMIFRAB9ASMN1; SMN2RECQL
SCHEMBL12865426 0.85 MIF (0.40) MAPTMIFRAB9ASMN1; SMN2RECQL
SCHEMBL4092065 0.83 KDM4E (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4092067 0.83 KDM4E (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11119176 0.82 MIF (0.45) MAPTMIFAAK1RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 US disclosed
US-4277395-A OF ELASTASE; OLIGOPEPTIDES RICHARDSON-MERRELL INC. (US) 1981-07-07 US disclosed