SCHEMBL6471771

SCHEMBL6471771

O=C(O)c1cccc2c1c1ccccc1n2OCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FABP4 P15090 4/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37

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
SCHEMBL6470711 0.92 LMNA (0.40) CNR1CNR2LMNAALDH1A1NPC1
SCHEMBL6531635 0.82 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL6472450 0.79 PDE4B (0.44)
SCHEMBL6470693 0.75 HTT (0.44) LMNAALDH1A1TDP1NPC1GLA
SCHEMBL8180702 0.73 CYP19A1 (0.59) LMNAALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL6470748 0.73 PDE4B (0.46)
SCHEMBL20595409 0.69 KDM4E (0.53) LMNAALDH1A1TDP1GLAHPGD
SCHEMBL8584166 0.69 CCR2 (0.55) ALDH1A1TSHR
SCHEMBL28260190 0.66 FABP4 (0.57) CNR2LMNAALDH1A1TP53SMN1; SMN2
Phthalic Acid SCHEMBL4430760 0.65 ALDH1A1 (0.70) LMNAALDH1A1NPC1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed