SCHEMBL8076209

SCHEMBL8076209

N#Cc1ccc(COCCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
CYP2A6 P11509 1/20 0.48
CYP19A1 P11511 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.41
ALOX5 P09917 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3401155 0.87 LOXL2 (0.56) MAOBLOXL2CYP2A6CYP19A1RAB9A
SCHEMBL11122145 0.82 MAOB (0.56) MAOBLOXL2CYP2A6CYP19A1RAB9A
SCHEMBL14947971 0.82 TSHR (0.48) RAB9ASMN1; SMN2GAACA2CA9
SCHEMBL17855825 0.81 MMP3 (0.56) MAOBLOXL2CYP2A6CYP19A1RAB9A
SCHEMBL2266160 0.80 CYP2A6 (0.50) MAOBLOXL2CYP2A6CYP19A1RAB9A
SCHEMBL1155776 0.79 MAOB (0.48) MAOBLOXL2CYP2A6CYP19A1RAB9A
SCHEMBL28887579 0.79 LOXL2 (0.59) MAOBLOXL2CYP2A6CYP19A1RAB9A
SCHEMBL3156041 0.79 MAOB (0.48) MAOBLOXL2CYP2A6CYP19A1RAB9A
SCHEMBL1534961 0.79 CYP2A6 (0.59) MAOBLOXL2CYP2A6CYP19A1RAB9A
SCHEMBL7062567 0.79 MAOB (0.69) MAOBLOXL2CYP2A6CYP19A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127426-A ANTIALLERGIC AND -INFLAMMATORY AGENTS E.G., TREATING PSORIASIS, BLOCKED ON THE C-10 BY A NONPHENOLIC ARYLACYL OR A PHENYLALKYLIDENE GROUP; LIPOXYGENASE INHIBITORS; ANTIPROLIFERATIVE AGENTS; LOW DOSAGE; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-10-03 US disclosed
EP-0664780-B1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMA (IL) 1999-12-08 EP disclosed
US-5952390-A ANTIINFLAMMATORY AGENTS; TREATMENT FOR PSORIASIS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1999-09-14 US disclosed
US-5844004-A 10-substituted 1,8-dihydroxy-9 (10H) anthracenone pharmaceuticals TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-12-01 US disclosed
US-5661187-A ADMINISTERING TO TREAT AN ALLERGIC OR INFLAMMATORY CONDITION; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-08-26 US disclosed
EP-0664780-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-08-02 EP disclosed
US-5426197-A Antiinflammatory, antiallergy or antitumor agents TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-06-20 US disclosed
WO-1995003266-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-02-02 WO disclosed