SCHEMBL6545133

SCHEMBL6545133

CCCCOC(=O)C1C(=O)CC(=O)CC1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
PTGES O14684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
NAAA Q02083 2/20 0.33

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
SCHEMBL4846520 0.84 ALDH1A1 (0.56) ALDH1A1ALOX12TSHRRAB9AKMT2A
SCHEMBL8502739 0.83 ALDH1A1 (0.54) ALDH1A1ALOX12TSHRRAB9AKMT2A
SCHEMBL6545071 0.76 ALDH1A1 (0.51) ALDH1A1ALOX12TSHRLMNARAB9A
SCHEMBL8810368 0.76 ALDH1A1 (0.45) ALDH1A1TSHRLMNAL3MBTL1POLB
SCHEMBL1874367 0.73 ALDH1A1 (0.45) ALDH1A1TSHRLMNAL3MBTL1ATM
SCHEMBL18576518 0.73 ALDH1A1 (0.45) ALDH1A1TSHRLMNAL3MBTL1ATM
SCHEMBL7823966 0.73 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AL3MBTL1ATM
SCHEMBL8813347 0.71 DNTT (0.41) ALDH1A1TSHRLMNARAB9AKMT2A
SCHEMBL4682813 0.70 NAAA (0.47) ALDH1A1TSHRLMNANAAA
SCHEMBL4683072 0.70 NAAA (0.47) ALDH1A1TSHRLMNANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027055-B1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2004-01-07 EP disclosed
EP-1027055-A4 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2001-12-05 EP disclosed
EP-1027055-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES HOWARD UNIVERSITY (US) 2000-08-16 EP disclosed
US-5994349-A ANTIEPILEPTIC AGENTS HOWARD UNIVERSITY (US) 1999-11-30 US disclosed
WO-1999021560-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4[10H]-ONE DERIVATIVES HOWARD UNIVERSITY (US) 1999-05-06 WO disclosed