SCHEMBL5086089

SCHEMBL5086089

C=C(CC=C(C(=O)O)C(C=C(C)C(=O)O)CCCC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8928327 0.95 LCK (0.36)
SCHEMBL8728064 0.89 CA1 (0.31) CA2
SCHEMBL8915896 0.85 ALOX15 (0.30) ALOX15HSD17B10
SCHEMBL1229404 0.81 ALDH1A1 (0.37) MAPK1TSHR
SCHEMBL7973270 0.81 ALDH1A1 (0.42)
SCHEMBL7061679 0.78 ACHE (0.34) ACHEBACE1CA2MAPK1TSHR
SCHEMBL8673348 0.78 CA2 (0.33) ACHEBACE1CA2MAPK1TSHR
SCHEMBL2787511 0.77 ACHE (0.37) ACHEBACE1CA2MAPK1TSHR
SCHEMBL5015840 0.77 TSHR (0.33) TSHR
SCHEMBL8506548 0.77 LCK (0.37) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090954-A1 Low shrinkage sheet molded composite formulations ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2008-04-17 US disclosed