SCHEMBL14729210

SCHEMBL14729210

CCC(C)C/C=C(\C)CCCO

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 4/20 0.46
PTPN1 P18031 2/20 0.42
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM1A O60341 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL29022266 0.88 SQLE (0.42) SQLEPTPN1ALDH1A1ALOX15FNTA
SCHEMBL8827827 0.81 SQLE (0.43) SQLEPTPN1
SCHEMBL18951089 0.79 PTPN1 (0.35) PTPN1
SCHEMBL11101778 0.79 BTN3A1 (0.36) PTPN1ALDH1A1ALOX15
SCHEMBL11101779 0.79 BTN3A1 (0.36) PTPN1ALDH1A1ALOX15
SCHEMBL31538343 0.77 PTPN1 (0.43) SQLEPTPN1ALDH1A1ALOX15KDM1A
SCHEMBL18768374 0.76 TSHR (0.30)
SCHEMBL110979 0.76 TSHR (0.30)
SCHEMBL110978 0.76 TSHR (0.30)
SCHEMBL31538282 0.76 PTPN1 (0.42) SQLEPTPN1ALDH1A1ALOX15KDM1A

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-20130052301-A1 CHEWING GUM COMPOSITIONS WM. WRIGLEY JR. COMPANY 2013-02-28 US disclosed