SCHEMBL28812642

SCHEMBL28812642

CCOC(=O)C(c1ccccc1)c1ccc(O)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CHRM1 P11229 4/20 0.43
▸ CHRM3 P20309 4/20 0.43
▸ CHRM2 P08172 3/20 0.43
▸ CHRM4 P08173 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL2310025 0.81 LMNA (0.62) TSHRMMP8LMNACYP2D6CYP1A2
SCHEMBL27965729 0.76 LMNA (0.54) TSHRMMP8LMNACYP2D6CYP1A2
SCHEMBL874671 0.76 TSHR (0.48) TSHRMMP8LMNACYP2D6CYP1A2
SCHEMBL27456672 0.76 MEN1 (0.50) TSHRMMP8LMNACYP2D6CYP1A2
Methane SCHEMBL28935271 0.75 LMNA (0.53) TSHRMMP8LMNACYP2D6CYP1A2
SCHEMBL5084136 0.74 LMNA (0.55) TSHRMMP8LMNACYP2D6CYP1A2
SCHEMBL27965890 0.74 LMNA (0.46) TSHRMMP8LMNACYP2D6CYP1A2
SCHEMBL26606670 0.73 TSHR (0.43) TSHRMMP8LMNACYP2D6CYP1A2
SCHEMBL29299736 0.73 L3MBTL1 (0.50) TSHRMMP8LMNACYP2D6CYP1A2
SCHEMBL27965914 0.73 L3MBTL1 (0.50) TSHRMMP8LMNACYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936537-B A kind of phenol of golden catalysis and the selectivity c h bond functionalization method of aniline EAST CHINA NORMAL UNIVERSITY (CN) 2015-10-28 — — CN disclosed
CN-103936537-A Method for performing gold-catalyzed selective C-H bond functionalization on phenol and aniline UNIV EAST CHINA NORMAL 2014-07-23 — — CN disclosed
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