SCHEMBL10521986

SCHEMBL10521986

CC(CC/C=C/c1ccccc1)CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
SIGMAR1 Q99720 2/20 0.41
IDO1 P14902 2/20 0.37
PAM P19021 1/20 0.37
RIPK1 Q13546 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP24A1 Q07973 1/20 0.33

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
SCHEMBL10521993 1.00 HTR2A (0.46) HTR2ASIGMAR1IDO1PAMRIPK1
SCHEMBL6286607 0.81 HTR2A (0.50) HTR2ASIGMAR1IDO1PAMMEN1
SCHEMBL453356 0.78 HTR2A (0.55) HTR2ASIGMAR1IDO1PAMMEN1
SCHEMBL106152 0.78 HTR2A (0.55) HTR2ASIGMAR1IDO1PAMMEN1
SCHEMBL809983 0.75 HTR2A (0.52) HTR2ASIGMAR1IDO1PAMMEN1
SCHEMBL809445 0.75 HTR2A (0.52) HTR2ASIGMAR1IDO1PAMMEN1
SCHEMBL6286931 0.74 SIGMAR1 (0.49) HTR2ASIGMAR1IDO1PAMMEN1
SCHEMBL10521936 0.72 HTR2A (0.43) HTR2ARIPK1MEN1KMT2A
SCHEMBL2785609 0.72 HTR2A (0.52) HTR2ASIGMAR1IDO1PAM
SCHEMBL10521942 0.72 HTR2A (0.43) HTR2ARIPK1MEN1KMT2A

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
US-4861742-A Bifunctional alkali metal compounds, preparation and use thereof as polymerization initiators BASF AKTIENGESELLSCHAFT (DE) 1989-08-29 US disclosed