SCHEMBL18979822

SCHEMBL18979822

O=C(O)CCCCCCCC(=O)CCC1OCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 5/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
FOLH1 Q04609 1/20 0.42
GPR84 Q9NQS5 7/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
FABP4 P15090 2/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL18979778 0.95 SLC22A6 (0.41) KMT2AMAPTTSHRLMNANFKB1
SCHEMBL18979819 0.87 ALDH1A1 (0.41) LMNAALDH1A1OR51E2
SCHEMBL5101571 0.83 LMNA (0.42) KMT2ATSHRLMNANFKB1PMP22
SCHEMBL12723334 0.82 ALDH1A1 (0.42) TSHRLMNANFKB1PMP22FOLH1
SCHEMBL3756234 0.79 TSHR (0.52) KMT2ATSHRLMNANFKB1PMP22
SCHEMBL4080821 0.79 ACE (0.43) KMT2AMAPTLMNAFOLH1ALDH1A1
SCHEMBL19783687 0.79 TSHR (0.52) KMT2ATSHRLMNANFKB1PMP22
SCHEMBL7370496 0.79 TSHR (0.52) KMT2ATSHRLMNANFKB1PMP22
SCHEMBL28851236 0.78 PTPN7 (0.50) KMT2AMAPTTSHRLMNANFKB1
SCHEMBL5668522 0.77 LMNA (0.50) KMT2ATSHRLMNANFKB1PMP22

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-20170176470-A1 DETECTION OF CARBOXYALKYLPYRROLE OR PENTYLPYRROLE ETHANOLAMINE PHOSPHOLIPIDS UNIV CASE WESTERN RESERVE (US) 2017-06-22 US disclosed