SCHEMBL20059975

SCHEMBL20059975

Cc1ccccc1OCC(=O)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HTT P42858 2/20 0.62
VDR P11473 1/20 0.60
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
AR P10275 1/20 0.56
NOTUM Q6P988 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL14499049 0.81 NOTUM (0.62) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL9576840 0.81 ALDH1A1 (0.60) ALDH1A1HTTVDRMEN1LMNA
SCHEMBL654774 0.79 SMN1; SMN2 (0.67) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL29966790 0.79 SMN1; SMN2 (0.67) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL11130277 0.79 NOTUM (0.60) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL7018054 0.79 NOTUM (0.60) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL7708593 0.79 ALDH1A1 (0.59) ALDH1A1HTTVDRLMNAKMT2A
SCHEMBL7862085 0.79 NOTUM (0.53) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL7702916 0.79 ALDH1A1 (0.59) ALDH1A1HTTVDRLMNAKMT2A
SCHEMBL12868260 0.79 VDR (0.70) ALDH1A1VDRMEN1LMNAKMT2A

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-2794556-B1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER GLEASON JAMES L (CA) 2018-04-18 EP disclosed