SCHEMBL8166558

SCHEMBL8166558

C=Cc1ccc(C(Cl)Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL1264527 0.80 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8
SCHEMBL941251 0.80 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8
SCHEMBL22820010 0.78 ALDH1A1 (0.55) ALDH1A1TSHRTDP1HDAC8
SCHEMBL7034832 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8
SCHEMBL830414 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8
SCHEMBL5134897 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8
SCHEMBL5694907 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8
SCHEMBL810409 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8
SCHEMBL6946790 0.74 ALDH1A1 (0.65) ALDH1A1TSHRTDP1HDAC8
SCHEMBL1903577 0.73 ALDH1A1 (0.54) ALDH1A1TSHRTDP1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028147-A Block copolymer, process for producing the same and resin composition of the same KURARAY CO., LTD. (JP) 2000-02-22 US disclosed
EP-0905156-A1 Block copolymer, process for producing the same and resin composition of the same KURARAY CO., LTD. (JP) 1999-03-31 EP disclosed
US-4482564-A FUNGICIDES SCHERING CORPORATION (US) 1984-11-13 US disclosed