SCHEMBL7960346

SCHEMBL7960346

COC(=O)C1(NC(=O)C(C)c2ccc(OC)cc2C)CCC(C)C(C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
ADAM17 P78536 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
POLB P06746 1/20 0.33
P2RX7 Q99572 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR5 P32302 1/20 0.32
LPAR1 Q92633 2/20 0.32
LMNA P02545 1/20 0.32
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MAPT P10636 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
SCHEMBL7964480 0.92 CXCR5 (0.38) ALDH1A1HPGDAPOBEC3AAPOBEC3GSMYD3
SCHEMBL7960643 0.89 POLB (0.39) ALDH1A1HPGDAPOBEC3AAPOBEC3GSMYD3
SCHEMBL7960139 0.87 POLB (0.34) ALDH1A1HPGDAPOBEC3AAPOBEC3GSMYD3
SCHEMBL7958197 0.85 SMYD3 (0.35) SMYD3POLBP2RX7SMN1; SMN2CXCR5
SCHEMBL7961516 0.84 GPR88 (0.40) ALDH1A1SMYD3POLBSMN1; SMN2MEN1
SCHEMBL7964594 0.84 SMN1; SMN2 (0.36) ALDH1A1P2RX7SMN1; SMN2MEN1KMT2A
SCHEMBL7957825 0.84 ALDH1A1 (0.35) ALDH1A1HPGDSMYD3SMN1; SMN2MEN1
SCHEMBL7961455 0.84 MEN1 (0.36) ALDH1A1HPGDAPOBEC3AAPOBEC3GSMYD3
SCHEMBL7960053 0.84 LPAR1 (0.42) ALDH1A1KMT2ALPAR1
SCHEMBL7949762 0.83 MEN1 (0.38) ALDH1A1P2RX7SMN1; SMN2MEN1KMT2A

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