SCHEMBL7964591

SCHEMBL7964591

COC(=O)C1(NC(=O)Cc2c(C)cc(OC)cc2C)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34

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 0.99 MAPT (0.40) MAPTALDH1A1L3MBTL1HPGDCYP3A4
SCHEMBL7949759 0.99 MAPT (0.40) MAPTALDH1A1L3MBTL1HPGDCYP3A4
SCHEMBL7950104 0.99 MAPT (0.40) MAPTALDH1A1L3MBTL1HPGDCYP3A4
SCHEMBL7958051 0.90 ALDH1A1 (0.39) ALDH1A1HPGDTSHR
SCHEMBL9595918 0.89 MAPT (0.40) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL7960775 0.88 LPAR1 (0.39) ALDH1A1HPGDTSHR
SCHEMBL7949624 0.88 LPAR1 (0.39) ALDH1A1HPGDTSHR
SCHEMBL7960122 0.88 LPAR1 (0.39) ALDH1A1HPGDTSHR
SCHEMBL9595748 0.88 MAPT (0.42) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL7958124 0.88 SMN1; SMN2 (0.35) MAPTALDH1A1HPGDCYP3A4TSHR

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