SCHEMBL11111384

SCHEMBL11111384

O=C1NC(=O)C2(CC(O)c3ccccc32)N1.O=C1NC(=O)C2(CCc3ccccc32)N1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
AKR1B1 P15121 1/20 0.60

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
SCHEMBL10602986 0.88 TSHR (0.49) TSHRTDP1AKR1B1
SCHEMBL17606122 0.84 TSHR (1.00) TSHRTDP1AKR1B1
SCHEMBL17605022 0.84 TSHR (1.00) TSHRTDP1AKR1B1
SCHEMBL30236599 0.84 TSHR (1.00) TSHRTDP1AKR1B1
SCHEMBL10599632 0.84 TSHR (1.00) TSHRTDP1AKR1B1
SCHEMBL10604226 0.82 TSHR (0.55) TSHRTDP1AKR1B1
SCHEMBL1395366 0.76 AKR1B1 (1.00) TSHRTDP1AKR1B1
SCHEMBL17604915 0.73 AKR1B1 (0.52) TSHRTDP1AKR1B1
SCHEMBL10601680 0.72 TSHR (0.49) TSHRTDP1AKR1B1
SCHEMBL7737577 0.71 TSHR (0.46) TSHRTDP1AKR1B1

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
EP-0115133-A1 Spiro-3-hetero-azolones for treatment of diabetic complications PFIZER INC. (US) 1984-08-08 EP disclosed