SCHEMBL7047352

SCHEMBL7047352

ON(Cc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
RIPK1 Q13546 2/20 0.47
IDO1 P14902 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PYCR1 P32322 2/20 0.45
TAAR1 Q96RJ0 2/20 0.43
BCL2A1 Q16548 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
AGXT P21549 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10748300 0.76 CYP1A2 (0.53) ALDH1A1TAAR1
SCHEMBL10979593 0.76 ESR1 (0.54) ESR1ESR2IDO1ALDH1A1TAAR1
SCHEMBL8781904 0.76 TSHR (0.46) ESR1ESR2
SCHEMBL15138651 0.74 ESR1 (0.47) ESR1ESR2RIPK1IDO1LOXL2
SCHEMBL7051153 0.74 PYCR1 (0.48) IDO1ALDH1A1PYCR1TAAR1
SCHEMBL8289786 0.74 HRH3 (0.64) ESR1ESR2RIPK1IDO1LOXL2
SCHEMBL4967718 0.74 CYP2C19 (0.50) IDO1ALDH1A1PYCR1TAAR1AGXT
SCHEMBL3191532 0.74 PYCR1 (0.67) ESR1ESR2RIPK1IDO1LOXL2
SCHEMBL7047327 0.74 ALDH1A1 (0.48) IDO1ALDH1A1PYCR1TAAR1BCL2A1
SCHEMBL7048734 0.74 LPL (0.46) IDO1ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941866-B1 Thermally imageable element having improved room light stability DU PONT (US) 2003-04-16 EP claimed
EP-0941866-B1 Thermally imageable element having improved room light stability DU PONT (US) 2003-04-16 EP disclosed
US-6251571-B1 MIXTURE OF OXIDIZER, DYE AND HYDROXYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-26 US disclosed
EP-0941866-A1 Non-photosensitive, thermally imageable element having improved room light stability E. I. du Pont de Nemours and Company (US) 1999-09-15 EP disclosed