SCHEMBL11418652

SCHEMBL11418652

CCOC(=O)C(=Nc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 4/20 0.46
SCN2A Q99250 1/20 0.43
LMNA P02545 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
SCHEMBL11404995 0.84 RAB9A (0.46) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL11423946 0.84 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL11423274 0.82 PRSS1 (0.48) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL10967696 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL10965996 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL11411115 0.80 CES2 (0.52) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL11418654 0.79 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL11417709 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL9611218 0.77 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL11415317 0.77 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1

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-4200648-A INFLAMMATION BY ADMINISTERING A BENZYLIDENEANILINE DERIVATIVE WILLIAM H. RORER, INC. (US) 1980-04-29 US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 US disclosed