SCHEMBL5282198

SCHEMBL5282198

C=C(C)C(=O)OCCN(CCCCCC)C(=S)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
THRB P10828 2/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
DNM1 Q05193 1/20 0.37
MGLL Q99685 1/20 0.36
NAAA Q02083 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
DGKA P23743 1/20 0.33
THRA P10827 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CES2 O00748 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
SCHEMBL1327196 0.84 TSHR (0.63) TSHRTHRBCA12CA1CA2
SCHEMBL18674241 0.80 TSHR (0.65) TSHRTHRBCA12CA1CA2
SCHEMBL9773059 0.80 TSHR (0.56) TSHRTHRBCA12CA1CA2
SCHEMBL10526650 0.79 TSHR (0.69) TSHRTHRBDNM1NAAAPOLB
SCHEMBL12346282 0.79 TSHR (0.69) TSHRTHRBDNM1NAAAPOLB
SCHEMBL6914198 0.79 TSHR (0.69) TSHRTHRBDNM1NAAAPOLB
SCHEMBL2832317 0.79 TSHR (0.69) TSHRTHRBDNM1NAAAPOLB
SCHEMBL1323804 0.79 TSHR (0.69) TSHRTHRBDNM1NAAAPOLB
SCHEMBL5935872 0.78 TSHR (0.67) TSHRTHRBDNM1POLBAPEX1
SCHEMBL1326500 0.78 TSHR (0.57) TSHRTHRBCA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3861039-B1 HYDROGEL COMPOSITIONS OPHTALMIC CIE (FR) 2023-11-01 EP claimed
US-20210332174-A1 HYDROGEL COMPOSITIONS OPHTALMIC COMPAGNIE (FR) 2021-10-28 US claimed
EP-3861039-B1 HYDROGEL COMPOSITIONS OPHTALMIC CIE (FR) 2023-11-01 EP disclosed
US-20210332174-A1 HYDROGEL COMPOSITIONS OPHTALMIC COMPAGNIE (FR) 2021-10-28 US disclosed
WO-2007002671-A1 LAMINATED CONTACT LENS PARAGON VISION SCIENCES, INC. (US) 2007-01-04 WO disclosed
US-20060290882-A1 LAMINATED CONTACT LENS PARAGON VISION SCIENCES, INC. (US) 2006-12-28 US disclosed