SCHEMBL8654342

SCHEMBL8654342

CCOC(=O)C1(NC(=O)Cc2ccc(C)cc2Cl)CCC(CC)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
OPRM1 P35372 1/20 0.33
PTGER4 P35408 1/20 0.33
P2RX3 P56373 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 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
SCHEMBL8650622 0.93 P2RX7 (0.37) P2RX7FFAR4PTGER4
SCHEMBL8907272 0.92 ADCY8 (0.40) P2RX7PTGER4
SCHEMBL6474811 0.90 MEN1 (0.42) P2RX7FFAR4OPRM1
SCHEMBL8652492 0.88 FFAR4 (0.40) P2RX7FFAR4
SCHEMBL27535978 0.88 SMN1; SMN2 (0.39) GAASMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL5492364 0.85 OPRM1 (0.34) GAASMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL6838460 0.83 POLB (0.37) P2RX7FFAR4GAASMN1; SMN2PSEN1
SCHEMBL7132879 0.83 MAPK1 (0.37) P2RX7GAASMN1; SMN2OPRM1
SCHEMBL8906981 0.83 RECQL (0.42) P2RX7
SCHEMBL6475206 0.82 MEN1 (0.42) P2RX7FFAR4

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