SCHEMBL11423751

SCHEMBL11423751

CCCCC(CCO)(CCCO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
ARG2 P78540 1/20 0.34
ACHE P22303 3/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL27486564 0.96 SMN1; SMN2 (0.48) SMN1; SMN2CYP4F2CYP4A11LMNAALDH1A1
SCHEMBL11415097 0.96 ALDH1A1 (0.38) SMN1; SMN2CYP4F2CYP4A11LMNAALDH1A1
SCHEMBL11416841 0.92 CYP4F2 (0.43) SMN1; SMN2CYP4F2CYP4A11LMNAALDH1A1
SCHEMBL1735472 0.88 TSHR (0.54) SMN1; SMN2CYP4F2CYP4A11LMNAALDH1A1
SCHEMBL7059539 0.88 CES2 (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11417770 0.88 SMN1; SMN2 (0.44) SMN1; SMN2CYP4F2CYP4A11LMNAALDH1A1
SCHEMBL11415107 0.88 CYP4F2 (0.35) SMN1; SMN2CYP4F2CYP4A11ALDH1A1HSD17B10
SCHEMBL17451110 0.88 CYP4F2 (0.43) SMN1; SMN2CYP4F2CYP4A11ALDH1A1HSD17B10
SCHEMBL28846250 0.88 CES2 (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5162778 0.87 CYP4F2 (0.46) SMN1; SMN2CYP4F2CYP4A11LMNAALDH1A1

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
CN-113594465-B Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2023-02-28 CN disclosed
US-4216260-A WATER SOLUBLE SALT OF POLYESTER CONTAINING CARBOXY-SUBSTITUTED DIOL Calloway Chemical Company (US) 1980-08-05 US disclosed