SCHEMBL25006752

SCHEMBL25006752

CCCCC(C)/C(C)=N/C(C(=O)O)=C(\C)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PDE4B Q07343 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25006433 0.75 NQO2 (0.38) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL9408920 0.72 PDE4B (0.49) HDAC3HDAC1HDAC2CA1CA2
SCHEMBL8523377 0.70 THRB (0.49) HDAC3HDAC1HDAC2CA1CA2
Hydrochloric Acid SCHEMBL30725888 0.70 HTT (0.56) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL9440242 0.70 HTT (0.52) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL27457534 0.70 HTT (0.52) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL27314198 0.69 TAS1R3 (0.47) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL3250292 0.69 CA1 (0.53) HDAC3HDAC1HDAC2CA1CA2
SCHEMBL3250283 0.69 CA1 (0.53) HDAC3HDAC1HDAC2CA1CA2
SCHEMBL28556177 0.68 CA1 (0.49) CA1CA2MAPTCYP19A1

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
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 — — EP disclosed
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