SCHEMBL8906013

SCHEMBL8906013

COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2C)CCC(C(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
S1PR5 Q9H228 8/20 0.34
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7964520 0.92 S1PR5 (0.33) P2RX7S1PR5MAPTMEN1LMNA
SCHEMBL7957823 0.91 ALDH1A1 (0.35) S1PR5MAPTMEN1LMNAHTT
SCHEMBL12460527 0.90 MAPT (0.32) P2RX7MAPT
SCHEMBL8907295 0.88 S1PR5 (0.35) P2RX7S1PR5
SCHEMBL8905682 0.87 MAPT (0.34) P2RX7MAPTLMNANPSR1GAA
SCHEMBL8907373 0.86 P2RX7 (0.38) P2RX7MEN1LMNAKMT2AALDH1A1
SCHEMBL9595651 0.86 MEN1 (0.34) P2RX7MAPTMEN1LMNAHTT
SCHEMBL8907784 0.85 P2RX7 (0.34) P2RX7MAPTNPSR1GAACYP19A1
SCHEMBL9595918 0.84 MAPT (0.40) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL8906549 0.84 MAPT (0.32) P2RX7MAPTNPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed