SCHEMBL27635293

SCHEMBL27635293

CC(O)C(=O)OCc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL1107604 0.84 ALDH1A1 (0.62) KMT2ALMNASLC6A2ALDH1A1
SCHEMBL201855 0.84 ALDH1A1 (0.62) KMT2ALMNASLC6A2ALDH1A1
SCHEMBL320610 0.84 ALDH1A1 (0.62) KMT2ALMNASLC6A2ALDH1A1
SCHEMBL3736036 0.83 ALDH1A1 (0.54) IDO1ALDH1A1CA2
SCHEMBL23750675 0.83 ALDH1A1 (0.54) IDO1ALDH1A1CA2
SCHEMBL16647693 0.82 MEN1 (0.53) MEN1KMT2AESR1ESR2LMNA
SCHEMBL15907712 0.82 TAS1R3 (0.43) MEN1KMT2ALMNAALDH1A1CA2
SCHEMBL2742150 0.81 MEN1 (0.52) MEN1KMT2AESR1ESR2LMNA
SCHEMBL29171050 0.79 HTR2A (0.59) IDO1ALDH1A1
SCHEMBL15762727 0.79 ALDH1A1 (0.48) MEN1KMT2ALMNASLC6A2ALDH1A1

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
CN-101324545-B Method for detecting radix salviae miltiorrhizae element with liquid chromatography series mass spectrograph technique TIANJIN TASLY PHARMACEUTICAL 2012-06-06 CN disclosed
CN-100348214-C Large specification vessel freeing drip pill and its preparation method ZHENGDA LUZHOU MED SCIENCE (CN) 2007-11-14 CN disclosed
CN-1686415-A Large specification vessel freeing drip pill and its preparation method ZHENGDA LUZHOU MED SCIENCE (CN) 2005-10-26 CN disclosed