SCHEMBL6281516

SCHEMBL6281516

CCCCNC(=O)C(C)C=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
BACE1 P56817 1/20 0.44
DPP7 Q9UHL4 2/20 0.41
EPHX1 P07099 3/20 0.40
MMP8 P22894 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
LMNA P02545 1/20 0.39
PAX8 Q06710 1/20 0.39
NAAA Q02083 2/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38

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
SCHEMBL224484 0.77 EPHX1 (0.52) ACHEDPP7EPHX1MMP8CYP2D6
SCHEMBL2363251 0.76 ACHE (0.46) ACHEEPHX1ALDH1A1KMT2A
SCHEMBL2363254 0.76 ACHE (0.46) ACHEEPHX1ALDH1A1KMT2A
SCHEMBL2349474 0.75 ACHE (0.46) ACHEBACE1EPHX1GABRPGABRD
SCHEMBL2349467 0.75 ACHE (0.46) ACHEBACE1EPHX1GABRPGABRD
SCHEMBL1395633 0.72 ALDH1A1 (0.66) EPHX1ALDH1A1
SCHEMBL5454501 0.72 ALDH1A1 (0.66) EPHX1ALDH1A1
SCHEMBL1903761 0.72 ALDH1A1 (0.66) EPHX1ALDH1A1
SCHEMBL27991817 0.72 FNTA (0.49) ACHEDPP7EPHX1MMP8FNTA
SCHEMBL1753873 0.71 DPP7 (0.60) DPP7EPHX1MMP8FNTAFNTB

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-6950587-B2 Optical fibers BAYER AKTIENGESELLSCHAFT (DE) 2005-09-27 US disclosed
EP-0327807-A2 Polycarbonate fibre light guides, and process for preparing the same BAYER AG (DE) 1989-08-16 EP disclosed