SCHEMBL14419405

SCHEMBL14419405

O=C(O)COc1ccc(Cl)cc1C(=O)c1cncc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.57
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AKR1B1 P15121 1/20 0.45

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
SCHEMBL14419404 0.86 PTGDR2 (0.53) PTGDR2TDP1TSHRMAPTHTT
SCHEMBL14419539 0.84 PTGDR2 (0.69) PTGDR2TDP1TSHRMAPTAKR1B1
SCHEMBL14419544 0.83 PTGDR2 (0.68) PTGDR2TDP1TSHRMAPT
SCHEMBL14419402 0.83 HTT (0.52) MAPTALOX15HTTL3MBTL1
SCHEMBL14419386 0.82 PTGDR2 (0.61) PTGDR2TDP1TSHRMAPT
SCHEMBL13715470 0.81 PTGDR2 (0.55) PTGDR2TDP1TSHRMAPTAKR1B1
SCHEMBL14419693 0.81 PTGDR2 (0.55) PTGDR2TDP1TSHRMAPTAKR1B1
SCHEMBL9209426 0.81 TDP1 (0.62) PTGDR2TDP1TSHRMAPT
SCHEMBL4627690 0.80 TDP1 (0.70) PTGDR2TDP1TSHRMAPT
SCHEMBL14419307 0.79 TDP1 (0.60) PTGDR2TDP1TSHRMAPT

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-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 — — US disclosed
Send feedback