SCHEMBL11846643

SCHEMBL11846643

CCOC(=O)Cc1ccc(N2CCC(=O)C(C(=O)OCC)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.42
POLB P06746 2/20 0.40
FDFT1 P37268 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP4Z1 Q86W10 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8912051 0.87 ALDH1A1 (0.44) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL10687043 0.83 ALDH1A1 (0.51) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL11848012 0.80 LIPE (0.48) LIPEFDFT1MAPTALDH1A1MEN1
SCHEMBL10689619 0.79 ALDH1A1 (0.42) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL3548031 0.78 MEN1 (0.45) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL7332808 0.78 ALDH1A1 (0.52) ALDH1A1
SCHEMBL28341780 0.77 LIPE (0.46) LIPEPOLBFDFT1MAPTALDH1A1
SCHEMBL28881408 0.77 LIPE (0.46) LIPEPOLBFDFT1MAPTALDH1A1
SCHEMBL28341778 0.77 LIPE (0.46) LIPEPOLBFDFT1MAPTALDH1A1
SCHEMBL31067226 0.76 LMNA (0.43) POLBMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3997669-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-12-14 US disclosed
US-3993763-A ALPHA-(CYCLIC TERTIARY AMINO-PHENYL)-ALIPHATIC ACIDS CIBA-GEIGY CORPORATION (US) 1976-11-23 US disclosed
US-3936467-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-02-03 US disclosed