SCHEMBL2623083

SCHEMBL2623083

O=C(O)CCC/C=C(/CO)C1CC(=O)OC1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL9817257 0.73 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL9822332 0.72 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL11544335 0.72 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL5159977 0.69 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL2805843 0.66 TSHR (0.39) ALDH1A1TSHR
SCHEMBL13471148 0.64 ALDH1A1 (0.68) ALDH1A1TSHRFFAR1FFAR4
SCHEMBL9817245 0.63 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL2477172 0.62 FOLH1 (0.42) ALDH1A1TSHR
SCHEMBL2672102 0.62 ALDH1A1 (0.51) ALDH1A1TSHR
SCHEMBL575023 0.60 SMN1; SMN2 (0.32) ALDH1A1TSHR

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-8158391-B2 Production of an α-carboxyl-ω-hydroxy fatty acid using a genetically modified Candida strain DNA TWOPOINTO, INC. (US) 2012-04-17 US disclosed
US-20100285545-A1 BIOSYNTHETIC ROUTES TO LONG-CHAIN ALPHA,OMEGA-HYDROXYACIDS, DIACIDS AND THEIR CONVERSION TO OLIGOMERS AND POLYMERS INC., DNA TWOPOINTO, INC. 2010-11-11 US disclosed