SCHEMBL7950104

SCHEMBL7950104

COC(=O)C1(NC(=O)Cc2c(C)cc(OC)cc2C)CCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7958068 1.00 MAPT (0.40) MAPTALDH1A1L3MBTL1NPC1MEN1
SCHEMBL7949759 1.00 MAPT (0.40) MAPTALDH1A1L3MBTL1NPC1MEN1
SCHEMBL7964591 0.99 MAPT (0.38) MAPTALDH1A1L3MBTL1NPC1MEN1
SCHEMBL7960775 0.90 LPAR1 (0.39) ALDH1A1FAAHTRPV1HPGD
SCHEMBL7960122 0.90 LPAR1 (0.39) ALDH1A1FAAHTRPV1HPGD
SCHEMBL7949624 0.90 LPAR1 (0.39) ALDH1A1FAAHTRPV1HPGD
SCHEMBL9595748 0.90 MAPT (0.42) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7958051 0.88 ALDH1A1 (0.39) ALDH1A1FAAHTRPV1HPGD
SCHEMBL9595918 0.88 MAPT (0.40) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7958124 0.86 SMN1; SMN2 (0.35) MAPTALDH1A1MEN1KMT2ACYP3A4

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