SCHEMBL9258362

SCHEMBL9258362

CCCN(CCC)C(=O)C1=COc2cc(O)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
TP53 P04637 1/20 0.40
P2RX1 P51575 1/20 0.38
P2RX4 Q99571 1/20 0.38
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MLYCD O95822 1/20 0.35
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 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
SCHEMBL9262605 0.78 ALDH1A1 (0.51) TP53MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8580093 0.76 CA12 (0.49) HPGDTP53MEN1KMT2ASMN1; SMN2
SCHEMBL7817781 0.75 CA12 (0.37) HPGDMEN1TSHRKMT2AALDH1A1
SCHEMBL9255027 0.74 CA12 (0.45) HPGDTP53MEN1KMT2AEGFR
SCHEMBL9262412 0.74 NAAA (0.47) HPGDTSHRSMN1; SMN2EGFRALDH1A1
SCHEMBL9258029 0.72 DRD3 (0.37) TSHRKDM4EDRD3OPRM1OPRD1
SCHEMBL9251348 0.70 CA12 (0.49) HPGDMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9255807 0.69 MAPT (0.41) TP53SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL9260062 0.68 CA12 (0.37) HPGDMEN1TSHRKMT2AALDH1A1
SCHEMBL9189058 0.67 TP53 (0.58) HPGDTP53MEN1TSHRKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed