SCHEMBL18979778

SCHEMBL18979778

O=C(O)CCCC(=O)CCC1OCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.41
FOLH1 Q04609 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.34
PMP22 Q01453 2/20 0.34
NFKB1 P19838 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
USP2 O75604 1/20 0.34
ACE P12821 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL18979822 0.95 KMT2A (0.46) SLC22A6FOLH1KMT2AMAPTLMNA
SCHEMBL18979819 0.89 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2ACECYP1A2
SCHEMBL5101571 0.84 LMNA (0.42) SLC22A6KMT2ALMNAALDH1A1TSHR
SCHEMBL12723334 0.84 ALDH1A1 (0.42) SLC22A6FOLH1LMNAALDH1A1TSHR
SCHEMBL4080821 0.80 ACE (0.43) SLC22A6FOLH1KMT2AMAPTLMNA
SCHEMBL10334572 0.76 LMNA (0.46) SLC22A6FOLH1KMT2ALMNAALDH1A1
SCHEMBL2578186 0.75 LMNA (0.40) SLC22A6FOLH1KMT2ALMNAALDH1A1
SCHEMBL18900660 0.75 TDP1 (0.36) KMT2ALMNASMN1; SMN2POLBUSP2
SCHEMBL5668522 0.74 LMNA (0.50) SLC22A6FOLH1KMT2ALMNAALDH1A1
SCHEMBL19417428 0.73 KDM4E (0.38) SMN1; SMN2POLBCAMK2A

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