SCHEMBL2886044

SCHEMBL2886044

O=C1CCCc2c1ccc1c2OCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 2/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO2 P16083 3/20 0.39
CYP19A1 P11511 2/20 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
SCHEMBL161389 0.89 KDM4E (0.42) MAPTKDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL9521121 0.86 MAOB (0.40) MAPTKDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL9827612 0.76 PSMB5 (0.41) MAPTKDM4ERAB9ASMN1; SMN2GAA
SCHEMBL23966083 0.76 MAOB (0.40) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22183626 0.76 MAOB (0.40) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3964318 0.75 MAOB (0.42) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9464905 0.74 MAOB (0.45) KDM4ERAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL17362278 0.72 MAOA (0.39) BRD4MAOAMAOBCYP2A6PRKCI
SCHEMBL6301106 0.71 BRD4 (0.52) MAPTKDM4ERAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11593637 0.70 NQO2 (0.35) MAPTKDM4ERAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197906-A1 Method for purification of chlorinated sucrose derivatives from reaction mixture by chromatography PHARMED MEDICARE PRIVATE LIMITED (IN) 2010-08-05 US disclosed
WO-2007023505-A2 METHOD FOR PURIFICATION OF CHLORINATED SUCROSE DERIVATIVES FROM REACTION MIXTURE BY CHROMATOGRAPHY PHARMED MEDICARE PRIVATE LIMITED (IN) 2007-03-01 WO disclosed
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0166937-B1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1991-08-28 EP disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed
US-4634705-A Adrenergic amidines ABBOTT LABORATORIES (US) 1987-01-06 US disclosed
EP-0166937-A2 Adrenergic compounds ABBOTT LABORATORIES (US) 1986-01-08 EP disclosed
US-4473586-A Aminoalkyl dihydronaphthalenes ABBOTT LABORATORIES (US) 1984-09-25 US disclosed