SCHEMBL9779602

SCHEMBL9779602

CCCCCC(C)CCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
DGKA P23743 1/20 0.46
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PAM P19021 2/20 0.42
CA1 P00915 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 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
SCHEMBL29134114 0.98 ACE2 (0.53) ACE2MAPTKMT2APOLBDGKA
SCHEMBL434247 0.94 KMT2A (0.47) ACE2MAPTKMT2APOLBDGKA
SCHEMBL28954693 0.91 MAPT (0.59) ACE2MAPTKMT2ADGKACYP1A2
SCHEMBL2245530 0.91 CYP1A2 (0.52) MAPTKMT2APOLBDGKACYP1A2
SCHEMBL494475 0.89 KMT2A (0.53) ACE2MAPTKMT2APOLBDGKA
SCHEMBL494680 0.89 KMT2A (0.53) ACE2MAPTKMT2APOLBDGKA
SCHEMBL494613 0.89 KMT2A (0.53) ACE2MAPTKMT2APOLBDGKA
SCHEMBL493768 0.89 KMT2A (0.53) ACE2MAPTKMT2APOLBDGKA
SCHEMBL496794 0.89 KMT2A (0.53) ACE2MAPTKMT2APOLBDGKA
SCHEMBL495265 0.89 KMT2A (0.53) ACE2MAPTKMT2APOLBDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032513-A Biosynthesis with Mucor fungi BASF CORPORATION (US) 1991-07-16 US disclosed