SCHEMBL7960894

SCHEMBL7960894

COC(=O)C(C)(C)NC(=O)Cc1ccc(OC)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ANO1 Q5XXA6 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
SHMT1 P34896 1/20 0.40
WNT3A P56704 1/20 0.40
EPHX2 P34913 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MMP16 P51512 1/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL7958008 0.89 SHMT1 (0.50) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL6474981 0.86 MEN1 (0.46) MEN1KMT2AANO1ALDH1A1SHMT1
SCHEMBL7964621 0.84 MEN1 (0.43) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL8651766 0.83 P2RX7 (0.47) ANO1ALDH1A1SHMT1HTT
SCHEMBL6997846 0.83 MEN1 (0.41) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL6998326 0.81 TAS1R3 (0.47) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL7960614 0.81 CYP3A4 (0.40) MEN1KMT2AHPGDSHMT1HTT
SCHEMBL8569927 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7960768 0.78 MEN1 (0.46) MEN1KMT2AANO1ALDH1A1HPGD
SCHEMBL3927575 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDAPOBEC3A

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-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed