SCHEMBL9827643

SCHEMBL9827643

CCCCOC(=O)C(N)(CCCCCCCCO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ACHE P22303 6/20 0.42
ALDH1A1 P00352 2/20 0.38
ARG2 P78540 1/20 0.36
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAAA Q02083 1/20 0.35
HPGD P15428 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
SCHEMBL27530078 0.97 ACHE (0.41) CYP4F2CYP4A11ACHEALDH1A1ARG2
SCHEMBL28914773 0.86 ALDH1A1 (0.39) ALDH1A1ATMHCAR2LMNATSHR
SCHEMBL28914772 0.86 ALDH1A1 (0.39) ALDH1A1ATMHCAR2LMNATSHR
SCHEMBL5667475 0.84 ACHE (0.41) CYP4F2CYP4A11ACHEALDH1A1ATM
Acetic Acid SCHEMBL11697282 0.84 ALDH1A1 (0.41) ALDH1A1ATMHCAR2LMNATSHR
Acetic Acid SCHEMBL11697268 0.84 ALDH1A1 (0.41) ALDH1A1ATMHCAR2LMNATSHR
SCHEMBL27536268 0.83 ALDH1A1 (0.39) ALDH1A1ATMHCAR2LMNATSHR
SCHEMBL28249791 0.82 ALDH1A1 (0.44) ACHEALDH1A1ATMHCAR2LMNA
SCHEMBL5772517 0.81 TSHR (0.44) ALDH1A1ATMHCAR2LMNATSHR
SCHEMBL3981178 0.80 ALDH1A1 (0.45) ACHEALDH1A1ATMHCAR2LMNA

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
EP-0413709-A4 FATTY AMINO ACIDS, AND HOMO- AND HETERO-OLIGOMERS AND CONJUGATES THEREOF GIBBONS WILLIAM ANTHONY (GB) 1991-12-27 EP disclosed
EP-0413709-A1 FATTY AMINO ACIDS, AND HOMO- AND HETERO-OLIGOMERS AND CONJUGATES THEREOF THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 1991-02-27 EP disclosed
WO-1989010348-A1 FATTY AMINO ACIDS, AND HOMO- AND HETERO-OLIGOMERS AND CONJUGATES THEREOF SYNPHARM LTD (GB) 1989-11-02 WO disclosed