SCHEMBL5174756

SCHEMBL5174756

[CH2]COC(=O)NOC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL20815 0.84 THRB (0.46) ALDH1A1TSHRTHRB
SCHEMBL4630934 0.81 TSHR (0.46) ALDH1A1TSHRTHRB
SCHEMBL16641681 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL3748063 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTHRBTDP1
SCHEMBL2404913 0.75 ALDH1A1 (0.35) ALDH1A1TSHRTHRBTDP1
SCHEMBL28295079 0.75 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL2404914 0.75 TSHR (0.47) ALDH1A1TSHRTHRB
SCHEMBL27787388 0.75 TSHR (0.41) ALDH1A1TSHRTHRB
SCHEMBL28329174 0.75 ALDH1A1 (0.35) ALDH1A1TSHRTHRB
SCHEMBL33644 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789821-A2 SILICONE HYDROGEL CONTACT LENSES ASAHIKASEI AIME CO., Ltd. (JP) 2007-05-30 EP disclosed
WO-2006026474-A2 SILICONE HYDROGEL CONTACT LENSES ASAHIKASEI AIME CO. LTD. (JP) 2006-03-09 WO disclosed