SCHEMBL5077128

SCHEMBL5077128

[CH2]CCCCCCCCCCCCCCCCCSc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL16893772 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL16893559 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5145617 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL95941 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5144121 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL16893942 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL97636 0.98 ALDH1A1 (0.61) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL95488 0.91 ALDH1A1 (0.64) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5169003 0.89 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC1HDAC2HDAC3
SCHEMBL5167895 0.89 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697465-B1 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GEN ELECTRIC (US) 2008-02-13 EP disclosed
EP-1697465-A2 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2006-09-06 EP disclosed
WO-2005061623-A2 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2005-07-07 WO disclosed
US-20050137310-A1 Polymer nanocomposites and methods for their preparation CITIBANK, N.A., AS COLLATERAL AGENT 2005-06-23 US disclosed
US-5747560-A AMMONIUM SALTS ALLIEDSIGNAL INC. (US) 1998-05-05 US disclosed
EP-0598836-B1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED SIGNAL INC (US) 1997-10-15 EP disclosed
EP-0668888-A1 NANOCOMPOSITES OF GAMMA PHASE POLYMERS AlliedSignal Inc. (US) 1995-08-30 EP disclosed
US-5385776-A Polylactams ALLIEDSIGNAL INC. 1995-01-31 US disclosed
EP-0598836-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL. ALLIED SIGNAL INC (US) 1994-06-01 EP disclosed
WO-1994011430-A1 NANOCOMPOSITES OF GAMMA PHASE POLYMERS ALLIED-SIGNAL INC. (US) 1994-05-26 WO disclosed
WO-1993004117-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED-SIGNAL INC. (US) 1993-03-04 WO disclosed
WO-1993004118-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED-SIGNAL INC. (US) 1993-03-04 WO disclosed