SCHEMBL17845808

SCHEMBL17845808

CCCCCCOc1ccccc1C(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
LMNA P02545 3/20 0.63
MEN1 O00255 2/20 0.63
CYP3A4 P08684 2/20 0.63
NR1I2 O75469 1/20 0.63
CHRM2 P08172 1/20 0.63
ADRA2A P08913 1/20 0.63
MAPT P10636 1/20 0.63
OPRK1 P41145 1/20 0.63
HTR2B P41595 1/20 0.63
SLC6A3 Q01959 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
PTPN11 Q06124 5/20 0.63
KDM4E B2RXH2 4/20 0.60
HSD17B10 Q99714 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
RECQL P46063 1/20 0.59
ALDH1A1 P00352 5/20 0.55
PTK2B Q14289 1/20 0.55

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
SCHEMBL9163993 1.00 KMT2A (0.63) KMT2ALMNAMEN1CYP3A4NR1I2
Hydrochloric Acid SCHEMBL5472083 0.99 KMT2A (0.62) KMT2ALMNAMEN1CYP3A4NR1I2
SCHEMBL2457396 0.91 LMNA (0.70) KMT2ALMNAMEN1CYP3A4NR1I2
SCHEMBL7588539 0.91 LMNA (0.70) KMT2ALMNAMEN1CYP3A4NR1I2
SCHEMBL168816 0.91 KMT2A (0.74) KMT2ALMNAMEN1CYP3A4NR1I2
SCHEMBL527254 0.91 KMT2A (0.74) KMT2ALMNAMEN1CYP3A4NR1I2
SCHEMBL6575990 0.91 KMT2A (0.74) KMT2ALMNAMEN1CYP3A4NR1I2
SCHEMBL3665313 0.91 KMT2A (0.74) KMT2ALMNAMEN1CYP3A4NR1I2
SCHEMBL112985 0.91 KMT2A (0.74) KMT2ALMNAMEN1CYP3A4NR1I2
SCHEMBL1274781 0.91 KMT2A (0.74) KMT2ALMNAMEN1CYP3A4NR1I2

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
WO-2016100446-A2 METHOD OF DETECTION OF VOLATILE ORGANIC COMPOUNDS USING LIQUID CRYSTALS THAT FORM A BLUE PHASE: AND DEVICE FOR STABILIZATION AND THICKNESS CONTROL OF LIQUID CRYSTAL FILMS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-23 WO claimed
WO-2016100446-A2 METHOD OF DETECTION OF VOLATILE ORGANIC COMPOUNDS USING LIQUID CRYSTALS THAT FORM A BLUE PHASE: AND DEVICE FOR STABILIZATION AND THICKNESS CONTROL OF LIQUID CRYSTAL FILMS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-23 WO disclosed