SCHEMBL21384547

SCHEMBL21384547

CCCCCCCCCOC(=O)C(C)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PPARG P37231 2/20 0.47

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
SCHEMBL28264160 1.00 ALDH1A1 (0.54) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL16672556 0.94 L3MBTL1 (0.57) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL13444677 0.92 LMNA (0.54) ALDH1A1TSHRLMNATP53MAPK1
SCHEMBL16673235 0.87 LMNA (0.56) ALDH1A1TSHRLMNATP53MAPK1
SCHEMBL1245869 0.87 TAS1R3 (0.50) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL22207269 0.86 TSHR (0.46) ALDH1A1TSHRLMNA
SCHEMBL22207263 0.86 TSHR (0.46) ALDH1A1TSHRLMNA
SCHEMBL22207127 0.86 TSHR (0.46) ALDH1A1TSHRLMNA
SCHEMBL22207181 0.86 TSHR (0.46) ALDH1A1TSHRLMNA
SCHEMBL22207122 0.86 TSHR (0.46) ALDH1A1TSHRLMNA

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
WO-2019179267-A1 PREPARATION METHOD OF PHENOXYCARBOXYLIC ACID HERBICIDES 山东润博生物科技有限公司 2019-09-26 WO disclosed
WO-2019179265-A1 METHOD FOR PREPARING PHENOXY CARBOXYLIC ACID HERBICIDE 山东润博生物科技有限公司 2019-09-26 WO disclosed