SCHEMBL7960139

SCHEMBL7960139

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
LMNA P02545 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
P2RX7 Q99572 1/20 0.32
CXCR5 P32302 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL7964128 0.92 CXCR5 (0.37) POLBALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL7960643 0.88 POLB (0.39) POLBALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL7964594 0.87 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7960346 0.87 ALDH1A1 (0.34) POLBALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL7950107 0.86 MEN1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7958073 0.86 MEN1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7949762 0.86 MEN1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7960535 0.84 GPR88 (0.39) POLBALDH1A1HPGDSMYD3SMN1; SMN2
SCHEMBL7957873 0.84 LPAR1 (0.41) KMT2A
SCHEMBL7958197 0.82 SMYD3 (0.35) POLBSMYD3LMNASMN1; SMN2MAPT

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