SCHEMBL8575944

SCHEMBL8575944

Cc1cc(C)c(C2C(=O)C3CCCN3C2=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL8571183 0.95 KMT2A (0.42) KMT2APOLBMEN1ALDH1A1HRH3
SCHEMBL3603694 0.89 KMT2A (0.40) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL5451185 0.79 KMT2A (0.39) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL9535573 0.75 KMT2A (0.36) KMT2APOLBALDH1A1
SCHEMBL5929382 0.72 ALDH1A1 (0.37) KMT2APOLBMEN1ALDH1A1KDM4E
Cga-271312 SCHEMBL6801995 0.70 HRH3 (0.37) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL9374014 0.70 TP53 (0.38) KMT2APOLBMEN1ALDH1A1CYP3A4
SCHEMBL9536702 0.69 SMN1; SMN2 (0.39) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL9482552 0.69 BRD4 (0.37) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20015892 0.68 CHRNB2 (0.51) CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811374-A INSECTICIDES; ACARICIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0442077-B1 3-Aryl-pyrrolidine-2,4-dione derivatives as insecticides and herbicides BAYER AG (DE) 1995-11-08 EP disclosed
EP-0355599-B1 3-ARYL-PYRROLIDINE-2,4-DIONES BAYER AG (DE) 1993-05-19 EP disclosed
US-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0442077-A2 3-Aryl-pyrrolidine-2,4-dione derivatives as insecticides and herbicides BAYER AG (DE) 1991-08-21 EP disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed