SCHEMBL829682

SCHEMBL829682

O=C(O)CCCCCCCC1OC1CCCCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
LMNA P02545 3/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
GPR84 Q9NQS5 8/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
FABP4 P15090 2/20 0.46
ALOX15 P16050 2/20 0.46
PTPN1 P18031 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46

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
SCHEMBL829681 1.00 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
SCHEMBL829680 1.00 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
SCHEMBL11579695 1.00 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9387161 0.98 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4964807 0.98 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL12853398 0.92 GPR84 (0.64) TSHRLMNANFKB1PMP22GPR84
SCHEMBL6265100 0.92 GPR84 (0.64) TSHRLMNANFKB1PMP22GPR84
SCHEMBL320497 0.92 GPR84 (0.64) TSHRLMNANFKB1PMP22GPR84
SCHEMBL320495 0.92 GPR84 (0.64) TSHRLMNANFKB1PMP22GPR84
SCHEMBL19427058 0.92 GPR84 (0.64) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143034-B2 Method for preparing long-chain hydroxyacids, diacids and oligomers and polymers thereof POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2012-03-27 US claimed
US-20090054610-A1 METHOD FOR PREPARING LONG-CHAIN HYDROXYACIDS, DIACIDS AND OLIGOMERS AND POLYMERS THEREOF SyntheZyme, LLC 2009-02-26 US claimed
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-8143034-B2 Method for preparing long-chain hydroxyacids, diacids and oligomers and polymers thereof POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2012-03-27 US disclosed
EP-2324001-A1 METHOD FOR PREPARING LONG-CHAIN HYDROXYACIDS, DIACIDS AND OLIGOMERS AND POLYLMERS THEREOF Polytechnic Institute of New York University (US) 2011-05-25 EP 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
WO-2010022200-A1 METHOD FOR PREPARING LONG-CHAIN HYDROXYACIDS, DIACIDS AND OLIGOMERS AND POLYLMERS THEREOF POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2010-02-25 WO disclosed
US-20090054610-A1 METHOD FOR PREPARING LONG-CHAIN HYDROXYACIDS, DIACIDS AND OLIGOMERS AND POLYMERS THEREOF SyntheZyme, LLC 2009-02-26 US disclosed