SCHEMBL6738847

SCHEMBL6738847

CC1=C(O)C(=O)CC1.CC1=C(O)C(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
DUSP3 P51452 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL112009 1.00
Water SCHEMBL17599138 0.97
Pyrazine SCHEMBL7593109 0.86 TYR (0.31) TYR
SCHEMBL441607 0.83
SCHEMBL6428668 0.81 P2RX4 (0.33) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL8664468 0.81 P2RX4 (0.33) KDM4EMEN1ALDH1A1MAPTALOX15
Orthocresol SCHEMBL6013643 0.79 HSD17B10 (0.38) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL2862352 0.77 KDM4E (0.40) TYRKDM4EMEN1ALDH1A1MAPT
SCHEMBL21380433 0.77 AKT1 (0.30)
SCHEMBL15945083 0.73

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-6692788-B1 Compositions for improving the organoleptic qualities of cooked foodstuffs KERRY INGREDIENTS (UK) LIMITED (GB) 2004-02-17 US claimed
EP-1181590-A1 OPTOELECTRONIC AND PHOTONIC DEVICES Gemfire Corporation (US) 2002-02-27 EP disclosed
WO-2000057221-A1 OPTOELECTRONIC AND PHOTONIC DEVICES GEMFIRE CORPORATION (US) 2000-09-28 WO disclosed