SCHEMBL8696586

SCHEMBL8696586

O=C(CCc1ccccc1)OCC(CO)C(O)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CASP1 P29466 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
LPAR1 Q92633 3/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.40
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
SLC1A1 P43005 1/20 0.39
MAPT P10636 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 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
SCHEMBL8701193 0.88 TDP1 (0.58) TDP1CASP1CA1CA2CA7
SCHEMBL8427417 0.77 TDP1 (0.58) TDP1LPAR1ADRB2ADRB1ADRB3
SCHEMBL9464191 0.76 TDP1 (0.70) TDP1LPAR1ADRB2ADRB1ADRB3
SCHEMBL9566300 0.75 PTGER4 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL8696584 0.75 PTGER4 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL8564144 0.75 KMT2A (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL8567729 0.75 KMT2A (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL3650168 0.74 TDP1 (0.78) TDP1KMT2AAPPMAPTFFAR1
SCHEMBL304176 0.74 TDP1 (0.78) TDP1CASP1KMT2AAPPMAPT
SCHEMBL29053751 0.73 TDP1 (0.66) TDP1LPAR1ADRB2ADRB1ADRB3

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-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed