SCHEMBL9872465

SCHEMBL9872465

O=C(OCC1C(COC(=O)c2ccccc2)C1C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
F2 P00734 1/20 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
SCHEMBL9873005 0.81 TDP1 (0.53) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL2452177 0.77 PPM1B (0.51) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL2452175 0.77 PPM1B (0.51) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL9172397 0.77 PPM1B (0.51) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL9872467 0.76 TDP1 (0.47) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL8447322 0.76 CARM1 (0.61) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL532785 0.76 CARM1 (0.61) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL13286850 0.76 PPM1B (0.56) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL28655049 0.74 TDP1 (0.53) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL7700089 0.74 TDP1 (0.53) TDP1KMT2AMAPK1HIF1ASLC6A2

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-4988703-A Viricides of hydroxyethylcyclopropylguanine ABBOTT LABORATORIES (US) 1991-01-29 US disclosed