SCHEMBL24092249

SCHEMBL24092249

C=CC(=O)NC(O)C(O)NC(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.48
▸ CYP2C9 P11712 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ ACACB O00763 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ TGM2 P21980 1/20 0.30

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
SCHEMBL2837013 0.82 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL20613908 0.82 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL151457 0.82 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18755249 0.82 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28190613 0.78 TSHR (0.50) TSHRCYP2C9ALDH1A1MAPK1TDP1
SCHEMBL23420244 0.77 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3932401 0.75 TSHR (0.70) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL19142357 0.75 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28189976 0.74 TSHR (0.47) TSHRCYP2C9ALDH1A1MAPK1TDP1
SCHEMBL3888297 0.74 TSHR (0.62) TSHRALDH1A1MAPK1TDP1ZDHHC20

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-3126415-B1 SILICONE ACRYLAMIDE COPOLYMER JOHNSON & JOHNSON VISION CARE (US) 2021-12-15 — — EP disclosed
CN-102844401-B Expandable elastomeric material in the presence of water or oil 罗地亚管理公司 2016-08-31 — — CN disclosed
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