SCHEMBL28190613

SCHEMBL28190613

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ZDHHC20 Q5W0Z9 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37
▸ ACACB O00763 2/20 0.37
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 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
SCHEMBL28189976 0.84 TSHR (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL151457 0.79 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL20613908 0.79 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18755249 0.79 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL2837013 0.79 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1065203 0.78 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL108995 0.78 — —
SCHEMBL24092249 0.78 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27506531 0.76 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3888297 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 — — CN disclosed
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