SCHEMBL5073228

SCHEMBL5073228

[CH2]CCCCCCCCCCSCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
HTT P42858 1/20 0.40
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
FAAH O00519 1/20 0.36
GBA1 P04062 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL539499 1.00 CYP2C19 (0.48) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5272714 0.98 CYP2C19 (0.50) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5979449 0.92 CYP2C19 (0.52) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28131316 0.90 CYP2C19 (0.50) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6306047 0.87 CYP2C19 (0.59) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28965534 0.85 CYP2C19 (0.57) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8748290 0.84 CYP2C19 (0.48) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5074208 0.84 CYP1A2 (0.53) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL934486 0.83 CYP2C19 (0.55) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7909121 0.83 CYP2C19 (0.59) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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