SCHEMBL7464294

SCHEMBL7464294

COc1cc(CCc2ccc3c(c2)OCO3)oc(=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.60
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL9016228 0.81 PPARG (0.50) CALM1ALDH1A1RAB9ASMN1; SMN2TAAR1
SCHEMBL7959794 0.80 CALM1 (0.57) CALM1ALDH1A1CYP3A4TAAR1
SCHEMBL19665419 0.79 CALM1 (0.50) CALM1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL19679885 0.78 AKR1B1 (0.38) CALM1ALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL19665514 0.77 AKR1B1 (0.61) HTR2CHTR2B
Dihydro-5,6-Dehydrokawain SCHEMBL19679894 0.76 PPARG (0.59) ALDH1A1CYP3A4TDP1RAB9ASMN1; SMN2
SCHEMBL29928731 0.75 PTPN1 (0.59) CALM1ALDH1A1TDP1TAAR1LMNA
SCHEMBL30007673 0.75 CALM1 (1.00) CALM1ALDH1A1CYP3A4RAB9ASMN1; SMN2
SCHEMBL108087 0.73 TAAR1 (0.77) CALM1ALDH1A1CYP3A4TAAR1GAA
SCHEMBL31272047 0.72 POLB (0.53) ALDH1A1CYP3A4SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032572-B1 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 2002-12-11 EP disclosed
US-6288109-B1 Pyranones, method for the production and use thereof DR. WILLMAR SCHWABE GMBH & CO. (DE) 2001-09-11 US disclosed
EP-1032572-A2 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF Dr. Willmar Schwabe GmbH & Co. (DE) 2000-09-06 EP disclosed
WO-1999025716-A9 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 1999-09-02 WO disclosed
WO-1999025716-A2 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1999-05-27 WO disclosed