SCHEMBL9323641

SCHEMBL9323641

[CH2]C(C)CC(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.41
PRKCA P17252 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL128660 0.85 TSHR (0.48) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL2907463 0.84 PRKCA (0.44) TSHRALDH1A1PRKCATDP1MAPT
SCHEMBL235327 0.83 TSHR (0.46) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL2500451 0.83 TSHR (0.46) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL27259225 0.83 TSHR (0.46) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL1456508 0.81 TSHR (0.45) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL18087555 0.81 TSHR (0.45) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL232470 0.79 TSHR (0.43) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL21811852 0.79 TSHR (0.43) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL21811595 0.79 TSHR (0.43) TSHRALDH1A1PRKCATDP1L3MBTL1

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
EP-0223246-B1 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-02 EP disclosed
US-5194432-A Drugs for treatment of infectious diseases; microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-16 US disclosed
US-4960766-A SUBSTITUTED 2-PYRAZOLIOMETHYL GROUP AND A 7-(AMINOTHIAZOLYL) (ALKOXYIMINO)-ACETAMIDO GROUP CEPHALOSPORIN DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 US disclosed
EP-0223246-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-05-27 EP disclosed