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Sugi Predict / Compounds / SCHEMBL9175802

SCHEMBL9175802

SCHEMBL9175802

C=CCOC(=O)/C(=N\O)C(=O)CCl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 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
SCHEMBL9175808 1.00 CYP3A4 (0.33) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL11667699 0.82 TSHR (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9651269 0.81 TSHR (0.33) CYP3A4TSHR
SCHEMBL9170481 0.78 TSHR (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9170486 0.78 TSHR (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL4807770 0.76 MAPT (0.39) TSHRMAPT
SCHEMBL4812377 0.76 MAPT (0.39) TSHRMAPT
SCHEMBL20125148 0.75 CYP3A4 (0.31) CYP3A4
Hydrochloric Acid SCHEMBL28694145 0.74 MAPT (0.38) TSHRMAPT
SCHEMBL6424852 0.73 CYP3A4 (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1

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-0382220-B1 Method for preparing aminothiazolylacetic acid derivatives MEIJI SEIKA KAISHA (JP) 1995-06-28 — — EP disclosed
EP-0382220-A2 Method for preparing aminothiazolylacetic acid derivatives MEIJI SEIKA KAISHA LTD. (JP) 1990-08-16 — — EP disclosed