SCHEMBL10939181

SCHEMBL10939181

CCOC(=O)CCC(C)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ MAOB P27338 2/20 0.39
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ PRNP P04156 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HK1 P19367 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ P2RX3 P56373 2/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL10915307 0.84 TSHR (0.46) TSHRMAOBHPGDALDH1A1MEN1
SCHEMBL10877255 0.84 TSHR (0.42) TSHRMAOBHPGDALDH1A1MEN1
SCHEMBL10878831 0.83 TSHR (0.41) TSHRMAOBHPGDALDH1A1MEN1
SCHEMBL11304752 0.78 GAA (0.44) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL11404881 0.78 MAPT (0.50) HPGDALDH1A1MEN1KMT2ANPSR1
SCHEMBL10913708 0.78 EGFR (0.39) HPGDALDH1A1NPSR1SMN1; SMN2SCN9A
SCHEMBL10838863 0.77 CYP1A2 (0.43) HPGDALDH1A1GAATDP1NPSR1
SCHEMBL10935699 0.77 ALDH1A1 (0.56) MAOBHPGDALDH1A1MEN1KMT2A
SCHEMBL9587752 0.76 MAPT (0.45) HPGDALDH1A1MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL10947196 0.76 CYP1A2 (0.43) HPGDALDH1A1GAATDP1NPSR1

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
US-4499271-A WEED CONTROL ZOECON CORPORATION (US) 1985-02-12 — — US disclosed
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