SCHEMBL1419749

SCHEMBL1419749

CC(OOCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 3/20 0.45
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC15A1 P46059 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
SCHEMBL10472894 0.81 SLC1A1 (0.56) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
SCHEMBL1706675 0.81 KMT2A (0.56) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
SCHEMBL138280 0.81 KMT2A (0.56) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
SCHEMBL27757196 0.81 KMT2A (0.56) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
SCHEMBL4955338 0.81 SLC1A1 (0.56) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
SCHEMBL138281 0.81 KMT2A (0.56) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7686303 0.79 KMT2A (0.54) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL8687912 0.79 KMT2A (0.54) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL8687505 0.79 KMT2A (0.54) ALDH1A1KMT2ACYP1A2SLC1A3SLC1A2
SCHEMBL11594052 0.78 TSHR (0.48) ALDH1A1CYP2D6TSHRL3MBTL1LMNA

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
JP-2001527517-A 2001-12-25 JP claimed
EP-0969869-A2 COMPOSITIONS COMPRISING AN INDUCING AGENT AND AN ANTI-VIRAL AGENT FOR THE TREATMENT OF BLOOD, VIRAL AND CELLULAR DISORDERS Perrine, Susan P. (US) 2000-01-12 EP claimed
WO-1998004290-A2 COMPOSITIONS COMPRISING AN INDUCING AGENT AND AN ANTI-VIRAL AGENT FOR THE TREATMENT OF BLOOD, VIRAL AND CELLULAR DISORDERS PERRINE SUSAN P (US) 1998-02-05 WO claimed
EP-2298350-A2 Composition comprising an inducing agent and an anti-viral agent for the treatment of viral disorders Perrine, Susan P. (US) 2011-03-23 EP disclosed
EP-1886677-A1 Use of an inducing agent for the treatment of blood, viral and cellular disorders Perrine, Susan P. (US) 2008-02-13 EP disclosed
EP-1611885-A1 Use of an inducing agent for the treatment of blood, viral and cellular disorders Perrine, Susan P. (US) 2006-01-04 EP disclosed