SCHEMBL11062391

SCHEMBL11062391

O=C(CO)c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 4/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 3/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.53
ALDH3A1 P30838 1/20 0.52
ALDH1A3 P47895 1/20 0.52
AKR1C3 P42330 1/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.48
USP30 Q70CQ3 1/20 0.47
HPGD P15428 3/20 0.47

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
SCHEMBL10982608 0.85 MAPT (0.54) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL10708221 0.85 NPC1 (0.56) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL20716378 0.84 NPC1 (0.74) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL11055339 0.83 NPC1 (0.52) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL30689191 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL1665694 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL4093686 0.82 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL2744730 0.82 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL20703336 0.82 NPC1 (0.50) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL20716309 0.81 NPC1 (0.52) SMN1; SMN2MAPTLMNAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed