SCHEMBL7949977

SCHEMBL7949977

COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2OC)CCC(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
LPAR1 Q92633 2/20 0.35
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL8905682 0.92 MAPT (0.34) GAALPAR1MAPTLMNAHPGD
SCHEMBL7949850 0.91 LPAR1 (0.41) GAALPAR1MAPTALDH1A1RECQL
SCHEMBL7960880 0.90 LPAR1 (0.34) LPAR1MAPTNPC1RAB9AKDM4E
SCHEMBL12703036 0.89 MAPT (0.36) GAALPAR1MAPTALDH1A1RECQL
SCHEMBL7964600 0.89 LPAR1 (0.33) LPAR1NPC1RAB9AKDM4ELMNA
SCHEMBL7961784 0.89 MAPT (0.36) LPAR1MAPTALDH1A1
SCHEMBL7964520 0.88 S1PR5 (0.33) LPAR1MAPTNPC1RAB9ALMNA
SCHEMBL7960018 0.88 LPAR1 (0.37) LPAR1NPC1RAB9AKDM4ELMNA
SCHEMBL7960049 0.88 LPAR1 (0.33) GAALPAR1ALDH1A1NPC1RAB9A
SCHEMBL7960239 0.87 MAPT (0.38) LPAR1MAPTALDH1A1NPC1RAB9A

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