SCHEMBL11628014

SCHEMBL11628014

C[C](C(C)=O)C(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 12/20 0.73
CES1 P23141 11/20 0.73
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48
XBP1 P17861 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 3/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL9445781 0.90 CES2 (0.71) CES2CES1MAPTRAB9ALMNA
Benzoyl Formic Acid SCHEMBL6550783 0.85 CES2 (0.73) CES2CES1MAPTRAB9ALMNA
SCHEMBL180411 0.84 CES2 (1.00) CES2CES1MAPTRAB9ALMNA
SCHEMBL15180810 0.84 CES2 (1.00) CES2CES1MAPTRAB9ALMNA
Benzil SCHEMBL1481339 0.84 CES2 (0.80) CES2CES1MAPTRAB9ALMNA
SCHEMBL5243256 0.82 CES2 (0.95) CES2CES1MAPTRAB9ALMNA
Water SCHEMBL17802791 0.82 CES2 (0.95) CES2CES1MAPTRAB9ALMNA
Benzil SCHEMBL4814635 0.81 CES2 (0.82) CES2CES1MAPTRAB9ALMNA
Benzil SCHEMBL2252919 0.81 CES2 (0.82) CES2CES1MAPTRAB9ALMNA
SCHEMBL5899450 0.81 CES2 (0.60) CES2CES1MAPTRAB9ALMNA

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-4071527-A Certain benzothiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-01-31 US disclosed