SCHEMBL9522063

SCHEMBL9522063

O=C1CC(=O)OC(c2cccs2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2041571 0.71 KDM4E (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL11316397 0.70 KDM4E (0.45) AKT1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL657849 0.69 POLB (0.56) AKT1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL28673429 0.68 AKT1 (0.46) AKT1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL120709 0.67 MEN1 (0.48) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL5142779 0.67 GAA (0.55) AKT1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL31218230 0.67 KDM4E (0.42) AKT1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL1781122 0.67 MAPT (0.57) AKT1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL1269530 0.66 ALDH1A1 (0.41) AKT1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL8207399 0.65 MEN1 (0.47) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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