SCHEMBL7735667

SCHEMBL7735667

COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.73
NPC1 O15118 3/20 0.68
PTGS2 P35354 10/20 0.65
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
HPGD P15428 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
THRB P10828 2/20 0.62
TP53 P04637 1/20 0.62
CASP3 P42574 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 1/20 0.58
KDR P35968 1/20 0.56
HPSE Q9Y251 1/20 0.55
POLB P06746 1/20 0.53

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
SCHEMBL5834587 0.88 LMNA (0.59) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL30842494 0.86 SMN1; SMN2 (0.56) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL12682368 0.84 ALOX5 (0.74) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL2246443 0.83 ALOX5 (0.73) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL6681482 0.83 NPC1 (0.64) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL28436509 0.81 NPC1 (1.00) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL5834515 0.81 ALOX5 (0.70) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL5834837 0.81 ALOX5 (0.55) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL5832494 0.80 NPC1 (0.67) ALOX5NPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL12937470 0.80 ALOX5 (0.72) ALOX5NPC1PTGS2RAB9ASMN1; SMN2

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed