SCHEMBL7918436

SCHEMBL7918436

CCOC(=O)CCCC1CCC(N(C)Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
LTA4H P09960 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL7918443 1.00 ALOX5 (0.46) ALOX5L3MBTL1JAK2JAK1LTA4H
Oxalic Acid SCHEMBL7917823 0.98 ALOX5 (0.44) ALOX5L3MBTL1JAK2JAK1LTA4H
Oxalic Acid SCHEMBL7917829 0.98 ALOX5 (0.44) ALOX5L3MBTL1JAK2JAK1LTA4H
SCHEMBL7917801 0.91 ALOX5 (0.47) ALOX5L3MBTL1LTA4HALDH1A1TDP1
SCHEMBL7908154 0.79 JAK2 (0.43) L3MBTL1JAK2JAK1KMT2ANPC1
SCHEMBL7908155 0.79 JAK2 (0.43) L3MBTL1JAK2JAK1KMT2ANPC1
Oxalic Acid SCHEMBL7908151 0.78 JAK2 (0.43) JAK2JAK1KMT2AOPRM1NPC1
Oxalic Acid SCHEMBL7908156 0.78 JAK2 (0.43) JAK2JAK1KMT2AOPRM1NPC1
SCHEMBL3901891 0.78 ALDH1A1 (0.46) ALOX5L3MBTL1ALDH1A1TDP1POLB
SCHEMBL25377167 0.77 TP53 (0.45) L3MBTL1ALDH1A1TDP1MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211219-B1 DRUGS, ANALGESICS AND AGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-04-03 US disclosed