SCHEMBL9302435

SCHEMBL9302435

C=CC(=O)OC(F)(F)C(F)CCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
THRB P10828 4/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CTSK P43235 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
THRA P10827 1/20 0.32
ATM Q13315 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL9251422 0.94 TSHR (0.41) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL10339368 0.94 TSHR (0.41) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL9301632 0.92 TSHR (0.39) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL28585678 0.85 ALDH1A1 (0.33) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9304290 0.83 TSHR (0.37) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL31544632 0.83 ALDH1A1 (0.32) TSHRALDH1A1CYP3A4TP53MAPK1
SCHEMBL3132072 0.81 ALDH1A1 (0.35) TSHRALDH1A1CYP3A4TP53MAPK1
SCHEMBL31414416 0.81 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4TP53MAPK1
SCHEMBL27697751 0.81 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4TP53MAPK1
SCHEMBL9317303 0.80 TSHR (0.40) TSHRHPGDTHRBZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN disclosed
CN-114805664-A Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-29 CN disclosed
US-5336582-A Electrophotographic image formation comprising an arylamine in a charge transport layer and an encapsulated toner FUJI XEROX CO., LTD. (JP) 1994-08-09 US disclosed
US-5300388-A Toner for electrophotography and process for producing the same FUJI XEROX CO., LTD. (JP) 1994-04-05 US disclosed