SCHEMBL5167833

SCHEMBL5167833

O=C(OOCc1ccccc1)OOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TSHR P16473 3/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL9065651 0.90 ALDH1A1 (0.57) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL1041654 0.86 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL733740 0.86 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL4727517 0.85 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Bicarbonate SCHEMBL9066694 0.83 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL335181 0.83 ALDH1A1 (0.64) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL11128304 0.83 ALDH1A1 (0.48) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL325376 0.83 PARP10 (0.49) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL1071630 0.83 ALDH1A1 (0.64) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL2033351 0.82 NPC1 (0.41) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070059692-A1 Array oligomer synthesis and use Life Technologies Corporation 2007-03-15 US disclosed
EP-1015420-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
WO-1999012892-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
US-5424057-A Medical diagnosis CIBA-GEIGY CORP. (US) 1995-06-13 US disclosed
US-5328992-A Compounds used as metal chelators and for medical diagnosis CIBA-GEIGY CORP. (US) 1994-07-12 US disclosed
US-5185368-A Complex with trivalent metal ions; medical diagnosis and therapy CIBA-GEIGY CORPORATION (US) 1993-02-09 US disclosed