SCHEMBL11066158

SCHEMBL11066158

CCOC(=O)Cc1ccc(OCC(O)CNC(C)COc2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 7/20 0.58
▸ ADRB2 P07550 7/20 0.56
▸ ADRB1 P08588 5/20 0.56
▸ LMNA P02545 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ADRA1B P35368 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL11075167 0.85 ADRB2 (0.76) ADRB3ADRB2ADRB1LMNATDP1
SCHEMBL11078899 0.83 MEN1 (0.70) ADRB3ADRB2ADRB1LMNATDP1
SCHEMBL9630745 0.78 ADRB2 (0.77) ADRB3ADRB2ADRB1LMNATDP1
SCHEMBL6016784 0.78 ADRB2 (0.77) ADRB3ADRB2ADRB1LMNATDP1
SCHEMBL10868115 0.78 ALDH1A1 (0.53) ADRB3ADRB2ADRB1LMNAKMT2A
SCHEMBL924496 0.78 KMT2A (0.63) TDP1GLACYP3A4KMT2A
Hydrochloric Acid SCHEMBL10840777 0.77 ADRB2 (0.75) ADRB3ADRB2ADRB1LMNATDP1
SCHEMBL10789653 0.77 ADRB2 (0.61) ADRB3ADRB2ADRB1LMNATDP1
SCHEMBL11078398 0.77 ADRB3 (0.75) ADRB3ADRB2ADRB1LMNACYP1A2
SCHEMBL10936166 0.77 ADRB3 (0.62) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4450115-A ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AND CARDIOTONIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-05-22 — — US claimed
US-4450115-A ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AND CARDIOTONIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-05-22 — — US disclosed
US-4381398-A Amino-alcohol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-04-26 — — US disclosed
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