SCHEMBL10786829

SCHEMBL10786829

Oc1cccc(Sc2cccc(O)c2Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.54
▸ ALOX15 P16050 7/20 0.43
▸ HPGD P15428 6/20 0.43
▸ HSD17B10 Q99714 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ KIF11 P52732 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ RECQL P46063 4/20 0.39
▸ EGFR P00533 3/20 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
SCHEMBL11778531 0.89 TSHR (0.56) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL2162442 0.81 TSHR (0.50) TSHRALOX15HPGDHSD17B10ALDH1A1
SCHEMBL69881 0.78 — —
SCHEMBL11521596 0.77 CYP3A4 (0.52) TSHRALOX15HPGDHSD17B10ALDH1A1
SCHEMBL10978453 0.76 TSHR (0.45) TSHRALOX15HPGDHSD17B10ALDH1A1
SCHEMBL9812315 0.74 CYP1A2 (0.51) TSHRCYP3A4MEN1KMT2ACYP2D6
SCHEMBL31438320 0.74 CYP1A2 (0.51) TSHRCYP3A4MEN1KMT2ACYP2D6
SCHEMBL3480074 0.74 ALOX15 (0.58) TSHRALOX15HPGDHSD17B10ALDH1A1
SCHEMBL31339525 0.73 ALOX15 (0.53) TSHRALOX15HPGDHSD17B10ALDH1A1
SCHEMBL11205285 0.73 ALOX15 (0.53) TSHRALOX15HPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087295-B1 WATER TREATMENT METHODS AND COMPOSITIONS HOUSEMAN LIMITED (GB) 1986-12-10 — — EP claimed
EP-0087295-A1 Water treatment methods and compositions HOUSEMAN LIMITED (GB) 1983-08-31 — — EP claimed
EP-0115922-B1 CONTROL OF LEGIONELLA PNEUMOPHILA IN WATER SYSTEMS BTP COCKER CHEMICALS LIMITED (GB) 1987-07-08 — — EP disclosed
EP-0087295-B1 WATER TREATMENT METHODS AND COMPOSITIONS HOUSEMAN LIMITED (GB) 1986-12-10 — — EP disclosed
EP-0087295-A1 Water treatment methods and compositions HOUSEMAN LIMITED (GB) 1983-08-31 — — EP disclosed
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