SCHEMBL27780293

SCHEMBL27780293

C=C(C(=O)OC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
ATM Q13315 2/20 0.50
LMNA P02545 3/20 0.43
F2 P00734 1/20 0.43
CES1 P23141 4/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CES2 O00748 3/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
MAPT P10636 5/20 0.42
ELANE P08246 1/20 0.41
AKT1 P31749 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
XBP1 P17861 1/20 0.39
CYP3A4 P08684 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL506074 0.91 TDP1 (0.53) TDP1ATMLMNAF2CES1
SCHEMBL22407127 0.85 LMNA (0.52) TDP1ATMLMNAF2CES1
SCHEMBL9124237 0.82 TDP1 (0.53) TDP1ATMLMNAF2CES1
SCHEMBL28705909 0.82 TDP1 (0.50) TDP1ATMLMNAF2CES1
SCHEMBL506075 0.80 AKT1 (0.48) TDP1ATMLMNAF2CES1
SCHEMBL28271339 0.80 ATM (0.45) TDP1ATMLMNAF2CES1
SCHEMBL5132603 0.80 TDP1 (0.56) TDP1ATMLMNAF2CES1
SCHEMBL4211363 0.78 TDP1 (0.50) TDP1ATMLMNAF2CES1
SCHEMBL4089336 0.78 TDP1 (0.50) TDP1ATMLMNAF2CES1
SCHEMBL28363002 0.78 TDP1 (0.54) TDP1ATMLMNAF2CES1

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-1532566-B Radiation sensitive composition for color filter JSR CORP 2010-05-12 CN claimed
CN-112830923-A Serial cinnamic acid-isoquinoline alkaloid complex with selective antibacterial action and preparation of carrier-free nano-medicine thereof 北京中医药大学 2021-05-25 CN disclosed