SCHEMBL7289598

SCHEMBL7289598

CC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1Br

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MAOB P27338 3/20 0.52
▸ PTPN1 P18031 1/20 0.49
▸ FOLH1 Q04609 1/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ CA9 Q16790 1/20 0.46
▸ SGMS2 Q8NHU3 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAOA P21397 1/20 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
SCHEMBL26021326 0.87 MAPT (0.65) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL21668583 0.84 MAPT (0.74) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL590545 0.83 MAPT (0.68) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL12921043 0.82 TDP1 (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL34466860 0.82 TDP1 (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL21483694 0.82 L3MBTL1 (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27828998 0.82 CTSV (0.51) MAPTSMN1; SMN2TDP1L3MBTL1FOLH1
SCHEMBL8489879 0.81 MAPT (0.57) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL6552022 0.80 MAPT (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9679320 0.80 MAPT (0.60) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658538-B1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA INC (US) 1997-10-29 — — EP disclosed
EP-0329464-B1 System for the closed-loop administration of an exercise simulating agent GENSIA INC (US) 1995-11-02 — — EP disclosed
US-5460605-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA, INC. (US) 1995-10-24 — — US disclosed
EP-0658538-A1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA, INC. (US) 1995-06-21 — — EP disclosed
US-5395970-A 1-(3,4-dihydroxyphenyl)-2-(4-(4-hydroxyphenyl)butaylamino)ethanol GENSIA PHARMACEUTICALS, INC. (US) 1995-03-07 — — US disclosed
US-5286252-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1994-02-15 — — US disclosed
US-5234404-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1993-08-10 — — US disclosed
US-5108363-A DIAGNOSIS, EVALUATION AND TREATMENT OF CORONARY ARTERY DISEASE BY EXERCISE SIMULATION USING CLOSED LOOP DRUG DELIVERY OF AN EXERCISE SIMULATING AGENT BETA AGONIST GENSIA PHARMACEUTICALS, INC. (US) 1992-04-28 — — US disclosed
EP-0329464-A2 System for the closed-loop administration of an exercise simulating agent GENSIA, INC. (US) 1989-08-23 — — EP disclosed
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