SCHEMBL4894998

SCHEMBL4894998

CC(C)NCC(O)COc1ccc(CC(C)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 5/20 0.67
▸ ADRB1 P08588 5/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ PMP22 Q01453 2/20 0.67
▸ ADRA1A P35348 2/20 0.67
▸ CYP1A2 P05177 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ CNR1 P21554 1/20 0.67
▸ ADRA1D P25100 1/20 0.67
▸ ADRA1B P35368 1/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ GLA P06280 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ THPO P40225 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65

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
Hydrochloric Acid SCHEMBL4903392 0.99 ADRB2 (0.65) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL11037618 0.86 ADRB2 (0.62) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL9354060 0.84 ADRB2 (0.79) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL9628892 0.84 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL10072155 0.84 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL6674480 0.84 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAPMP22
Hydrochloric Acid SCHEMBL11205198 0.83 TDP1 (0.59) ADRB2ADRB1TDP1LMNAPMP22
Hydrochloric Acid SCHEMBL1269430 0.83 ADRB2 (0.77) ADRB2ADRB1TDP1LMNAPMP22
Hydrochloric Acid SCHEMBL6016823 0.83 ADRB2 (0.76) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL13575765 0.82 ADRB2 (0.67) ADRB2ADRB1TDP1LMNAPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041491-B1 NEW PARA-SUBSTITUTED 3-PHENOXY-1-ALKYLAMINO-PROPANOL-2-S HAVING BETA RECEPTOR BLOCKING PROPERTIES Aktiebolaget Hässle (SE) 1985-01-30 — — EP claimed
EP-2948379-A1 READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER HQ Specialty Pharma Corporation (US) 2015-12-02 — — EP disclosed
US-20140364503-A1 READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER Welgrace Research Group (US) 2014-12-11 — — US disclosed
WO-2014143845-A1 READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER Welgrace Research Group (US) 2014-09-18 — — WO disclosed
US-20140262915-A1 READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER HQ Specialty Pharma Corporation (US) 2014-09-18 — — US disclosed
US-20140275249-A1 READY-TO-USE CO-SOLVENTS PHARMACEUTICAL COMPOSITION IN MODIFIED FLEXIBLE PLASTIC CONTAINER HQ Specialty Pharma Corporation (US) 2014-09-18 — — US disclosed
US-8835505-B1 Ready-to-use co-solvents pharmaceutical composition in modified flexible plastic container Welgrace Research Group (US) 2014-09-16 — — US disclosed
US-8829054-B1 Ready-to-use co-solvents pharmaceutical composition in modified flexible plastic container Welgrace Research Group (US) 2014-09-09 — — US disclosed
US-8722736-B2 Multi-dose concentrate esmolol with benzyl alcohol BAXTER INTERNATIONAL INC. (US) 2014-05-13 — — US disclosed
US-20080293810-A1 MULTI-DOSE CONCENTRATE ESMOLOL WITH BENZYL ALCOHOL BAXTER HEALTHCARE S.A. (CH) 2008-11-27 — — US disclosed
US-4080471-A ANTIARRYTHMIA AKTIEBOLAGET HASSLE (SW) 1978-03-21 — — US disclosed
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