SCHEMBL28084159

SCHEMBL28084159

CC(C)(C)c1ccc(Cl)cc1.CCC(=O)CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
CNR1 P21554 2/20 0.48
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.46
THRB P10828 1/20 0.46
MIF P14174 1/20 0.46
HTT P42858 1/20 0.45
KCNH2 Q12809 1/20 0.45
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42

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
1,4-Dichlorobenzene SCHEMBL28257308 0.85 TDP1 (0.56) POLBMEN1KMT2ALMNAMAPT
SCHEMBL28133146 0.82 LMNA (0.67) LMNAALDH1A1HDAC1TYR
SCHEMBL10365625 0.81 GRIN2D (0.47) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28058882 0.80 HDAC1 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL197202 0.80 MEN1 (0.62) POLBSMN1; SMN2NPC1RAB9AMEN1
Tert-Butylbenzene SCHEMBL27405309 0.79 CYP2C19 (0.50) SMN1; SMN2NPC1RAB9AKMT2ACYP2C19
SCHEMBL2974451 0.78 POLB (0.59) POLBSMN1; SMN2NPC1RAB9AMEN1
Propionaldehyde SCHEMBL28084160 0.78 POLB (0.52) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9395070 0.78 POLB (0.72) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4828018 0.77 RAB9A (0.71) POLBSMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102985391-A Radiation curable coatings for concrete floors DSM IP ASSETS BV 2013-03-20 CN claimed
CN-102639466-A Colored radiation curable coatings for concrete floors DSM IP ASSETS BV 2012-08-15 CN claimed
CN-103649248-B The aqueous glass coating composition that free radical is curable 拜尔材料科学有限公司 2016-06-22 CN disclosed
CN-103649248-A Free radical curable waterborne glass coating compositions BAYER MATERIALSCIENCE LLC 2014-03-19 CN disclosed
CN-102985391-A Radiation curable coatings for concrete floors DSM IP ASSETS BV 2013-03-20 CN disclosed
CN-102971385-A D1486 low gloss radiation curable coating for concrete floors DSM IP ASSETS BV 2013-03-13 CN disclosed
CN-102639466-A Colored radiation curable coatings for concrete floors DSM IP ASSETS BV 2012-08-15 CN disclosed