SCHEMBL9608627

SCHEMBL9608627

CN(C/C=C/C=C/CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38
GLS O94925 1/20 0.38
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL8515939 0.83 GPR52 (0.47) GPR52KMT2A
SCHEMBL8515941 0.83 GPR52 (0.47) GPR52KMT2A
SCHEMBL16658710 0.82 GPR52 (0.46) GPR52KMT2A
SCHEMBL7458715 0.79 MLYCD (0.50) HTR2CSLC6A4L3MBTL1KMT2ACTSK
SCHEMBL9608852 0.76 SIGMAR1 (0.46) GPR52CTSKCTSSCTSLCTSB
SCHEMBL7190668 0.75 RIPK1 (0.57) HTR2CSLC6A4KMT2AGLSCTSS
SCHEMBL6824553 0.75 GPR52 (0.55) GPR52
SCHEMBL6824556 0.75 GPR52 (0.55) GPR52
SCHEMBL16658714 0.74 ALOX5 (0.43) GPR52KMT2A
SCHEMBL9358204 0.73 LTB4R (0.49) HTR2CSLC6A4L3MBTL1KMT2ACTSK

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
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 WO disclosed