SCHEMBL7958197

SCHEMBL7958197

COC(=O)C1(NC(=O)C(C)c2ccc(OC)cc2C)CCC(C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.35
CXCR5 P32302 1/20 0.35
NQO2 P16083 2/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33
LPAR1 Q92633 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
CPS1 P31327 1/20 0.32
POLB P06746 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
SCHEMBL7961986 0.92 CXCR5 (0.41) SMYD3CXCR5NQO2MTNR1AMTNR1B
SCHEMBL7960643 0.90 POLB (0.39) SMYD3CXCR5SMN1; SMN2LPAR1MAPT
SCHEMBL7964594 0.88 SMN1; SMN2 (0.36) CXCR5SMN1; SMN2P2RX7MAPT
SCHEMBL7961455 0.88 MEN1 (0.36) SMYD3NQO2MTNR1AMTNR1BMAPT
SCHEMBL7957825 0.88 ALDH1A1 (0.35) SMYD3CXCR5SMN1; SMN2LPAR1LMNA
SCHEMBL7949762 0.87 MEN1 (0.38) CXCR5SMN1; SMN2P2RX7MAPT
SCHEMBL7958073 0.87 MEN1 (0.38) CXCR5SMN1; SMN2P2RX7MAPT
SCHEMBL7950107 0.87 MEN1 (0.38) CXCR5SMN1; SMN2P2RX7MAPT
SCHEMBL7960346 0.85 ALDH1A1 (0.34) SMYD3CXCR5NQO2MTNR1AMTNR1B
SCHEMBL7957654 0.83 KMT2A (0.42) SMYD3SMN1; SMN2MAPTCA12CA1

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