SCHEMBL7917801

SCHEMBL7917801

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
LTA4H P09960 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 2/20 0.40
PPID Q08752 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7918436 0.91 ALOX5 (0.46) ALOX5ALDH1A1TDP1MAPK1KMT2A
SCHEMBL7918443 0.91 ALOX5 (0.46) ALOX5ALDH1A1TDP1MAPK1KMT2A
Oxalic Acid SCHEMBL7917823 0.89 ALOX5 (0.44) ALOX5ALDH1A1TDP1MAPK1KMT2A
Oxalic Acid SCHEMBL7917829 0.89 ALOX5 (0.44) ALOX5ALDH1A1TDP1MAPK1KMT2A
SCHEMBL25377167 0.86 TP53 (0.45) ALDH1A1TDP1MAPK1TAS2R14LMNA
SCHEMBL25377161 0.86 TP53 (0.45) ALDH1A1TDP1MAPK1TAS2R14LMNA
SCHEMBL12283364 0.81 TAS2R14 (0.54) ALDH1A1MAPK1KMT2ATAS2R14LMNA
SCHEMBL1934331 0.81 TAS2R14 (0.54) ALDH1A1MAPK1KMT2ATAS2R14LMNA
SCHEMBL25373818 0.80 YTHDC1 (0.44) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL25373812 0.80 YTHDC1 (0.44) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53

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