SCHEMBL9075445

SCHEMBL9075445

C=Cc1ccc(COC2=C(CCCCCC)C(=O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.36
▸ THRA P10827 5/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ TACR2 P21452 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SHBG P04278 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL8642948 0.75 THRB (0.38) THRBTHRAMEN1KMT2AHRH3
SCHEMBL17224 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1
SCHEMBL4908032 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1
SCHEMBL4384105 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1
SCHEMBL14862 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1
SCHEMBL14866 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1
SCHEMBL10703018 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1
SCHEMBL396001 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1
SCHEMBL19971167 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1
SCHEMBL16460 0.72 THRB (0.57) THRBTHRAMEN1KMT2AESR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534393-A SQUARIC ACID DERIVATIVES FOR LEUCO DYES IN IMAGING POLAROID CORPORATION (US) 1996-07-09 — — US disclosed
US-5286612-A Mixture of superacid precursor and dye POLAROID CORPORATION (US) 1994-02-15 — — US disclosed
US-5278031-A Neutralization of acid compounds and reverse coloring POLAROID CORPORATION (US) 1994-01-11 — — US disclosed
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