SCHEMBL8227704

SCHEMBL8227704

C=CCCCCC(NCC(=O)O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17443453 0.85 ABCC4 (0.49) MAPTABCC4ALDH1A1LMNA
SCHEMBL8222418 0.79 USP2 (0.31) USP2
SCHEMBL17443359 0.75 CTSL (0.36) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL19154423 0.75 CTSL (0.36) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL17443452 0.75 CTSL (0.41) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL8227251 0.75 MAPT (0.46) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL29254288 0.73 MAPT (0.42) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL6562004 0.71 MAPT (0.46) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL30712762 0.70 PTGS1 (0.50) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL12325084 0.70 USP2 (0.33) MAPTALDH1A1LMNAUSP2CYP3A4

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
EP-2041159-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2011-09-28 EP disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 WO disclosed