SCHEMBL9388696

SCHEMBL9388696

CCCCCC(=O)[C@H](O)[C@H](O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.50
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CES1 P23141 4/20 0.44
AKR1B1 P15121 1/20 0.43

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
SCHEMBL3185732 0.94 CES2 (0.48) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL27822594 0.94 CES2 (0.48) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL3196682 0.92 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL18953029 0.92 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL3197544 0.92 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL3185746 0.92 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL9464032 0.89 CES2 (0.56) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL30576670 0.88 CES2 (0.41) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL9057797 0.87 CES2 (0.59) CES2CES1
SCHEMBL3939399 0.87 CES2 (0.59) CES2CES1

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
WO-1994006438-A1 ADENOSINE ANALOGUES AND METHOD OF INCREASING ADENOSINE RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-31 WO disclosed