SCHEMBL20970146

SCHEMBL20970146

CC(C)(C)P(Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1CP(C(C)(C)C)C12CC3CC(CC(C3)C1)C2)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
OPRK1 P41145 1/20 0.30

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
SCHEMBL12545355 0.90 MEN1 (0.34) SIGMAR1MEN1KMT2ANPSR1CNR1
SCHEMBL3000133 0.89 SIGMAR1 (0.33) SIGMAR1MEN1KMT2ANPSR1CNR1
SCHEMBL17883720 0.88 CNR2 (0.36) CNR1CNR2
SCHEMBL20970157 0.81
SCHEMBL20970143 0.81 LMNA (0.33) SIGMAR1
SCHEMBL2828857 0.80 P2RX7 (0.35) SIGMAR1MEN1KMT2AOPRK1
SCHEMBL20970164 0.80
SCHEMBL20970160 0.79 MEN1 (0.30) MEN1KMT2A
SCHEMBL17883739 0.78 CNR1 (0.30) CNR1
SCHEMBL3005852 0.77 MEN1 (0.38) SIGMAR1MEN1KMT2ANPSR1CNR1

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-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP claimed