SCHEMBL8720681

SCHEMBL8720681

CCC(CC)(CC)CSc1cc(O)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.40
ESR2 Q92731 5/20 0.39
LMNA P02545 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TYR P14679 2/20 0.37
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP2C9 P11712 1/20 0.37
MIF P14174 1/20 0.37
HTT P42858 1/20 0.37
NFE2L2 Q16236 1/20 0.37
AR P10275 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HPGD P15428 3/20 0.33

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
SCHEMBL11156077 0.76 APP (0.44) ESR1ESR2LMNAHSD17B10TYR
SCHEMBL14003947 0.71 TYR (0.46) ESR1ESR2LMNAHSD17B10TYR
SCHEMBL8933146 0.70 TYR (0.49) ESR1ESR2LMNAHSD17B10TYR
SCHEMBL8933393 0.70 TYR (0.49) ESR1ESR2LMNAHSD17B10TYR
SCHEMBL14557525 0.70 TYR (0.49) ESR1ESR2LMNAHSD17B10TYR
SCHEMBL8007165 0.70 ALOX15 (0.38) ESR1LMNAHSD17B10TYRALOX15
SCHEMBL8933167 0.70 TYR (0.49) ESR1ESR2LMNAHSD17B10TYR
SCHEMBL8007169 0.70 ALOX15 (0.38) ESR1LMNAHSD17B10TYRALOX15
SCHEMBL14003948 0.69 NAAA (0.36) LMNAHSD17B10TYRALOX15ALDH1A1
SCHEMBL926861 0.68 ALOX15 (0.48) ESR1LMNAHSD17B10TYRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662004-B1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1998-03-18 EP disclosed
US-5700448-A Use of persistent free-radicals in magnetic resonance imaging NYCOMED IMAGING AS (NO) 1997-12-23 US disclosed
US-5435991-A Use of persistent heterocyclic free-radicals in magnetic resonance imaging NYCOMED INNOVATION AB (SE) 1995-07-25 US disclosed
EP-0662004-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING Nycomed Innovation AB (SE) 1995-07-12 EP disclosed
WO-1993002710-A2 USE OF PERSISTENT FREE RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed
WO-1993002711-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed