SCHEMBL3647253

SCHEMBL3647253

CC(C)(c1ccccc1)c1ccc(Oc2cccc(N)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.68
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
NLRP1 Q9C000 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
NLRP3 Q96P20 1/20 0.49
MAOA P21397 1/20 0.48
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 2/20 0.46
ATM Q13315 1/20 0.44
POLB P06746 2/20 0.44

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
Benzene SCHEMBL9083189 0.97 MAOB (0.67) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL125626 0.95 MAOB (0.63) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL30853973 0.95 MAOB (0.63) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL202158 0.95 MAOB (0.63) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL29374472 0.95 MAOB (0.63) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL29492480 0.95 MAOB (0.63) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL29492478 0.94 MAOB (0.58) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL203057 0.94 MAOB (0.58) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3465746 0.92 ALDH1A1 (0.61) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL16438739 0.90 MAOB (0.58) MAOBALDH1A1MAPTSMN1; SMN2MEN1

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-2178888-A1 PROTEASOME INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2010-04-28 EP claimed
WO-2009020448-A1 PROTEASOME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-12 WO claimed
EP-2183622-A1 LIGHT-SHIELDING FILM Nippon Shokubai Co., Ltd. (JP) 2010-05-12 EP disclosed
WO-2009014264-A1 LIGHT-SHIELDING FILM NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-29 WO disclosed
US-5710334-A PENDANT ETHER GROUPS, POLYIMIDES WITH IMPROVED SOLUBILITY, MELT FLOW STABILITY, PROCESSABILITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-01-20 US disclosed