SCHEMBL6557133

SCHEMBL6557133

COC(Cl)(CC(=O)CC(Cl)(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
KCNN4 O15554 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MIF P14174 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL28022252 0.77 KCNN4 (0.52) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL7524621 0.76 TSHR (0.42) CES1KCNN4CYP1A2KMT2ATSHR
SCHEMBL10340239 0.75 CYP1A2 (0.54) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL29044270 0.75 TSHR (0.41) CES1KCNN4CYP1A2KMT2ATSHR
SCHEMBL8161300 0.74 CYP1A2 (0.52) KCNN4CYP2C19HIF1ACYP1A2KMT2A
SCHEMBL28005127 0.73 SLC6A2 (0.47) CES1CYP2C19HIF1ACYP1A2TSHR
SCHEMBL11715175 0.71 CYP2C19 (0.59) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL27286801 0.70 CYP2C19 (0.44) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL27991449 0.70 HIF1A (0.47) CES1KCNN4CYP2C19HIF1ACYP1A2
SCHEMBL3363877 0.69 CYP2C19 (0.57) CES1KCNN4CYP2C19HIF1ACYP1A2

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
EP-1423691-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
WO-2003019179-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-06 WO disclosed