SCHEMBL9574255

SCHEMBL9574255

O=C(O)c1cc(C(O)CN(CCCCCCOCCCc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.41
▸ MAOB P27338 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ADRB2 P07550 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BLM P54132 1/20 0.38

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
SCHEMBL10766081 0.88 ADRB2 (0.38) MAOBKDM4EMEN1KMT2AADRB2
SCHEMBL10465004 0.85 BCHE (0.38) MAOBKDM4EMEN1KMT2AADRB2
SCHEMBL10465045 0.84 ADRB2 (0.42) KDM4EALDH1A1MEN1KMT2AADRB2
SCHEMBL10463962 0.84 MRGPRX4 (0.40) MAOBKDM4EMEN1KMT2AADRB2
SCHEMBL5279071 0.83 NR1H3 (0.37) MAOBMEN1KMT2AADRB2ADRB1
SCHEMBL10465465 0.83 BACE1 (0.39) MAOBKMT2AADRB2ADRB1ADRB3
SCHEMBL10464521 0.82 ADRB2 (0.46) KDM4EALDH1A1MEN1KMT2AADRB2
SCHEMBL10464981 0.82 ADRB2 (0.43) KDM4EALDH1A1MEN1KMT2AADRB2
SCHEMBL10465029 0.80 ADRB2 (0.40) KDM4EMEN1KMT2AADRB2TP53
SCHEMBL10478216 0.80 NR1H3 (0.45) MAOBL3MBTL1MEN1KMT2ABCHE

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-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 — — US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 — — US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 — — US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 — — US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 — — US disclosed
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