SCHEMBL5082786

SCHEMBL5082786

CCCCCCCCCCCC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
ALDH1A1 P00352 1/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 4/20 0.57
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL8657303 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL24434263 0.98 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL15158145 0.98 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL12818876 0.91 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL27843331 0.91 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL27987016 0.91 KMT2A (0.77) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL6425147 0.91 KMT2A (0.77) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL2992758 0.91 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL4663422 0.91 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL6425146 0.90 SQLE (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919858-A2 MANAGEMENT OF OPHTHALMOLOGIC DISORDERS, INCLUDING MACULAR DEGENERATION The President and Fellows of Harvard College (US) 2008-05-14 EP disclosed
WO-2007019503-A2 MANAGEMENT OF OPHTHALMOLOGIC DISORDERS, INCLUDING MACULAR DEGENERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-02-15 WO disclosed