SCHEMBL6820912

SCHEMBL6820912

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 1/20 0.50
UGT1A1 P22309 1/20 0.50
SQLE Q14534 7/20 0.48
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6820914 1.00 KMT2A (0.55) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL28149947 0.98 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL20414120 0.98 KMT2A (0.52) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11548660 0.98 KMT2A (0.52) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11548663 0.98 KMT2A (0.52) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL31632707 0.96 KMT2A (0.54) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL20501916 0.96 KMT2A (0.54) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL25993302 0.88 KMT2A (0.39) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11485915 0.83 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10987811 0.83 KMT2A (0.52) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311261-A4 MEDICAMENTS FOR CHEMOTHERAPEUTIC TREATMENT OF DISEASE PHOTOGEN INC (US) 2004-06-02 EP disclosed
EP-1311261-A1 MEDICAMENTS FOR CHEMOTHERAPEUTIC TREATMENT OF DISEASE Photogen, Inc. (US) 2003-05-21 EP disclosed
WO-2002005812-A1 MEDICAMENTS FOR CHEMOTHERAPEUTIC TREATMENT OF DISEASE PHOTOGEN, INC. (US) 2002-01-24 WO disclosed