SCHEMBL13784595

SCHEMBL13784595

C=C(C)C(=O)OCc1ccc(C(C)CCCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.42
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 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
SCHEMBL13784592 0.92 CA1 (0.41) TSHRESR1ESR2THRBCA1
SCHEMBL10033534 0.86 NPC1 (0.45) TSHRESR1ESR2THRBTDP1
SCHEMBL13784554 0.86 ALDH1A1 (0.49) TSHRESR1ESR2CA1CA2
SCHEMBL13784593 0.81 TSHR (0.47) TSHRTHRATHRBCA1CA2
SCHEMBL9619637 0.81 IDO1 (0.49) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13784596 0.81 ELANE (0.46) TSHRESR1THRBTDP1ALDH1A1
SCHEMBL17027832 0.81 ALDH1A1 (0.46) CA1CA2ALDH1A1CYP3A4MEN1
SCHEMBL17027708 0.81 ALDH1A1 (0.46) CA1CA2ALDH1A1CYP3A4MEN1
SCHEMBL17027725 0.81 ALDH1A1 (0.46) CA1CA2ALDH1A1CYP3A4MEN1
SCHEMBL17027826 0.81 ALDH1A1 (0.46) CA1CA2ALDH1A1CYP3A4MEN1

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-7563917-B2 Silicon compound and a production process for silicon compound CHISSO CORPORATION (JP) 2009-07-21 — — US disclosed
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