SCHEMBL10494458

SCHEMBL10494458

COc1ccc(C[C@@H](C)/N=C\C(=O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
MAOB P27338 2/20 0.36
CAPN1 P07384 2/20 0.36
APP P05067 1/20 0.36
PPARG P37231 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10494413 1.00 ADRB2 (0.38) ADRB2MAOBCAPN1APPPPARG
SCHEMBL10494462 1.00 ADRB2 (0.38) ADRB2MAOBCAPN1APPPPARG
SCHEMBL10494404 1.00 ADRB2 (0.38) ADRB2MAOBCAPN1APPPPARG
SCHEMBL10494411 1.00 ADRB2 (0.38) ADRB2MAOBCAPN1APPPPARG
SCHEMBL14824471 0.84 ADRB2 (0.53) ADRB2MMP1MMP9KDM4EMEN1
SCHEMBL2611664 0.84 ADRB2 (0.42) ADRB2CAPN1MMP1MMP9KDM4E
SCHEMBL11085294 0.82 KDM4E (0.48) MAOBCAPN1PPARGKDM4EGAA
SCHEMBL2568099 0.81 MMP1 (0.41) ADRB2MMP1MMP9NPC1RAB9A
SCHEMBL10494330 0.80 ADRB2 (0.48) ADRB2MAOBCAPN1MMP1MMP9
Hydrochloric Acid SCHEMBL10494338 0.80 ADRB2 (0.47) ADRB2MAOBCAPN1MMP1MMP9

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-RE33024-E Bronchodilating 8-hydroxy-5-(1R)-1-hydroxy-2-(N-((1R)-2-(p-methoxyphenyl)-1-methylethyl)-amino)ethyl) carbostyril and intermediates thereof TANABE SEIYAKU CO. LTD. (JP) 1989-08-15 US disclosed
EP-0147719-B1 NOVEL CARBOSTYRIL DERIVATIVE AND PROCESS FOR PREPARING SAME Tanabe Seiyaku Co., Ltd. (JP) 1989-07-26 EP disclosed
US-4579854-A ADRENERGIC STIMULANTS TANABE SEIYAKU CO., LTD. (JP) 1986-04-01 US disclosed
EP-0147719-A2 Novel carbostyril derivative and process for preparing same Tanabe Seiyaku Co., Ltd. (JP) 1985-07-10 EP disclosed