SCHEMBL8313650

SCHEMBL8313650

CCc1ccc2c(c1)C(O)(c1cccc[n+]1[O-])CC(C)(C)CO2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
PARP1 P09874 1/20 0.30

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
SCHEMBL8310355 0.86 AKR1B1 (0.34)
SCHEMBL8315596 0.85 MAP3K14 (0.34)
SCHEMBL8315276 0.85 BACE1 (0.33)
SCHEMBL8314858 0.84
SCHEMBL8313605 0.84 HTR2B (0.35)
SCHEMBL8315522 0.83 BACE1 (0.33) PDK2
SCHEMBL8311155 0.82 AKR1B1 (0.32)
SCHEMBL8315199 0.82 ABCC9 (0.33)
SCHEMBL8315840 0.82 BACE1 (0.33)
SCHEMBL8315843 0.80 SCN9A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948483-A1 FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1999-10-13 EP disclosed
EP-0626954-B1 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GMBH (DE) 1999-03-17 EP disclosed
WO-1998029390-A1 FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1998-07-09 WO disclosed
US-5652252-A POTASSIUM CHANNEL ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-07-29 US disclosed
US-5602152-A POTASSIUM CHANNEL MODULATOR MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-02-11 US disclosed
EP-0626954-A1 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GmbH (DE) 1994-12-07 EP disclosed
WO-1994013658-A2 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GMBH (DE) 1994-06-23 WO disclosed