SCHEMBL16618548

SCHEMBL16618548

CC(C)C(=O)O.CC(C)CC(C)(C)Cc1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 5/20 0.38
ALOX15 P16050 1/20 0.38
CLCN2 P51788 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL29280960 0.84 FOLH1 (0.53) FOLH1TSHRALDH1A1ALOX15CLCN2
SCHEMBL28434886 0.79 FOLH1 (0.49) FOLH1TSHRALDH1A1ALOX15CLCN2
SCHEMBL9387739 0.78 FOLH1 (0.47) FOLH1TSHRALDH1A1ALOX15CLCN2
SCHEMBL5048768 0.77 FOLH1 (0.53) FOLH1TSHRALDH1A1ALOX15CLCN2
SCHEMBL28432338 0.75 FOLH1 (0.45) FOLH1TSHRALDH1A1ALOX15CLCN2
Phthalic Acid SCHEMBL28233584 0.74 ALDH1A1 (0.70) ALDH1A1ALOX15POLBMAPTHDAC8
SCHEMBL28750589 0.74 FOLH1 (0.50) FOLH1TSHRALDH1A1ALOX15CLCN2
SCHEMBL9455618 0.74 HSPA5 (0.43) TSHRALDH1A1POLBHIF1A
SCHEMBL157592 0.73 FOLH1 (0.53) FOLH1TSHRALDH1A1ALOX15CLCN2
SCHEMBL14722553 0.73 FOLH1 (0.42) FOLH1TSHRALDH1A1ALOX15POLB

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
WO-2015050685-A1 BENZOATE BLEND FERRO CORPORATION (US) 2015-04-09 WO claimed