SCHEMBL11508409

SCHEMBL11508409

O=C(OCC1(CO)CCCCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
HIF1A Q16665 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PRKCA P17252 5/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1713120 0.92 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL8496636 0.92 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL177283 0.89 MAPT (0.41) KMT2AMAPK1ALDH1A1NPSR1POLB
Isophthalic Acid SCHEMBL3722557 0.88 TDP1 (0.39) TDP1KMT2AMAPK1HIF1ANPSR1
SCHEMBL8734973 0.87 RAB9A (0.40) TDP1KMT2AHIF1AALDH1A1POLB
Ethylene Glycol SCHEMBL2299685 0.87 MAPT (0.39) KMT2AMAPK1ALDH1A1NPSR1POLB
SCHEMBL11140428 0.84 ALDH1A1 (0.49) TDP1MAPK1ALDH1A1TSHRCYP3A4
SCHEMBL9269862 0.83 TDP1 (0.55) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL3978749 0.81 TDP1 (0.41) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL9843596 0.80 PRKCA (0.41) ALDH1A1PRKCA

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
US-4137340-A Method for fixing electrophoretically formed toner images AGFA-GEVAERT N.V. (BE) 1979-01-30 US disclosed
US-4130670-A ELECTROPHORETIC DEPOSITION AGFA-GEVAERT, N.V. (BE) 1978-12-19 US disclosed