SCHEMBL6545098

SCHEMBL6545098

CCCCC1C(=O)CC(=O)CC1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.35
NOS2 P35228 4/20 0.35
NOS3 P29474 3/20 0.35
HTT P42858 1/20 0.33
ELANE P08246 1/20 0.33
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 2/20 0.30
PTGER4 P35408 1/20 0.30
PTGER2 P43116 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
ABCC3 O15438 1/20 0.30
ABCC4 O15439 1/20 0.30

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
SCHEMBL6549064 0.80 LMNA (0.34) MAPTLMNA
SCHEMBL14518643 0.75 CYP1A2 (0.34) NOS1NOS2NOS3HTTCYP1A2
SCHEMBL1614409 0.73 HTT (0.40) NOS1NOS2NOS3HTTELANE
SCHEMBL11019872 0.70 ITGB3 (0.37) TSHR
SCHEMBL10971228 0.70 CYP1A2 (0.44) NOS1NOS2NOS3HTTCYP1A2
SCHEMBL10597834 0.68 PRKCA (0.38) HTTKMT2AMEN1HPGDTSHR
SCHEMBL8965184 0.68 CYP1A2 (0.43) NOS1NOS2NOS3HTTCYP1A2
SCHEMBL8965187 0.68 CYP1A2 (0.43) NOS1NOS2NOS3HTTCYP1A2
SCHEMBL8964734 0.68 CYP1A2 (0.43) NOS1NOS2NOS3HTTCYP1A2
SCHEMBL2812341 0.68 CYP1A2 (0.40) HTTCYP1A2ALDH1A1TSHRPRKCA

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