SCHEMBL6850318

SCHEMBL6850318

CC(=O)N(c1c(C)cc(C)cc1C)C1CC(C(=O)O)CCN1CCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOTUM Q6P988 1/20 0.34
OPRM1 P35372 3/20 0.34
HTT P42858 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
EPHX2 P34913 3/20 0.31
NR1I2 O75469 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL6850155 0.80 KDM4E (0.37) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL8481385 0.70 NOTUM (0.33) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL6764669 0.68 NOTUM (0.38) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL6771029 0.60 TP53 (0.39) KDM4EOPRM1
SCHEMBL8481634 0.60 KDM4E (0.36) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL29044106 0.58 HRH3 (0.48)
SCHEMBL3557685 0.56 KDM4E (0.52) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL8703450 0.56 TAS1R3 (0.40) HPGDNPSR1NOTUMEPHX2MEN1
SCHEMBL5010587 0.55 HTT (0.56) HTTKMT2A
SCHEMBL46774 0.55 ALDH1A1 (0.55) KDM4EUSP2HPGDNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774133-B2 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-6555567-B1 2-oxo-3-aryl-4-hydroxy-1-aza-8-thiaspiro(4.5)decane derivatives of given formula; use as arthropodicide or nematicide BAYER AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6479489-B1 AN ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed