SCHEMBL9152541

SCHEMBL9152541

Brc1ccc(OC2C=CCC2)c(I)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9148347 0.81 KMT2A (0.31)
SCHEMBL9146008 0.77
SCHEMBL9146672 0.75
SCHEMBL9152379 0.73
SCHEMBL9148305 0.69
SCHEMBL19451978 0.68 THRA (0.33)
SCHEMBL9149989 0.68
SCHEMBL13925704 0.67 BTK (0.35) ALDH1A1
SCHEMBL9145109 0.67
SCHEMBL9775125 0.66 IDO1 (0.41) ALDH1A1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420310-A Anticoagulants, antiulcer, antiatherosclerosis agents formed in multistage reaction TORAY INDUSTRIES, INC. (JP) 1995-05-30 US disclosed
EP-0463162-B1 PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES TORAY INDUSTRIES (JP) 1994-05-11 EP disclosed
US-5202447-A Stereospecific TORAY INDUSTRIES, INC. (JP) 1993-04-13 US disclosed
EP-0463162-A1 PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-01-02 EP disclosed