SCHEMBL8655545

SCHEMBL8655545

COC(=O)C1(NC(=O)Cc2ccc(Cl)cc2C)CCC(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.42
P2RX7 Q99572 6/20 0.42
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SHMT1 P34896 2/20 0.36
SHMT2 P34897 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ANO2 Q9NQ90 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8653784 0.90 ANO1 (0.42) ANO1P2RX7LMNAHPGDSMN1; SMN2
SCHEMBL8905510 0.90 TRPV1 (0.44) ANO1P2RX7TRPV1HDAC3HDAC1
SCHEMBL8654464 0.90 SHMT1 (0.45) P2RX7LMNAHPGDSMN1; SMN2SHMT1
SCHEMBL8657268 0.89 P2RX7 (0.41) ANO1P2RX7LMNAHPGDSMN1; SMN2
SCHEMBL8656926 0.89 ANO1 (0.41) ANO1P2RX7LMNAHPGDSMN1; SMN2
SCHEMBL8907303 0.89 P2RX7 (0.39) P2RX7LMNAHPGDALDH1A1GAA
SCHEMBL8654200 0.89 ANO1 (0.45) ANO1P2RX7LMNAHPGDSMN1; SMN2
SCHEMBL8652029 0.88 ANO1 (0.43) ANO1P2RX7LMNAHPGDSMN1; SMN2
SCHEMBL8655537 0.88 P2RX7 (0.40) ANO1P2RX7LMNAHPGDSMN1; SMN2
SCHEMBL6482334 0.88 GAA (0.44) ANO1LMNAGAA

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-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed