SCHEMBL9388691

SCHEMBL9388691

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DNM1 Q05193 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
SPHK1 Q9NYA1 1/20 0.33
USP2 O75604 1/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7556267 0.81 USP2 (0.41) ALDH1A1CNR1CNR2DNM1LPAR1
SCHEMBL6419814 0.81 ALDH1A1 (0.40) ALDH1A1CNR1CNR2USP2
SCHEMBL28758113 0.81 USP2 (0.41) ALDH1A1CNR1CNR2DNM1LPAR1
SCHEMBL10423946 0.81 ALDH1A1 (0.40) ALDH1A1CNR1CNR2USP2
SCHEMBL8060427 0.81 ALDH1A1 (0.40) ALDH1A1CNR1CNR2USP2
SCHEMBL11168279 0.80 USP2 (0.40) ALDH1A1CNR1CNR2DNM1SPHK1
SCHEMBL15436121 0.80 USP2 (0.40) ALDH1A1CNR1CNR2DNM1SPHK1
SCHEMBL15648022 0.80 USP2 (0.40) ALDH1A1CNR1CNR2DNM1SPHK1
SCHEMBL21645278 0.80 USP2 (0.40) ALDH1A1CNR1CNR2DNM1SPHK1
SCHEMBL9214310 0.80 USP2 (0.40) ALDH1A1CNR1CNR2DNM1SPHK1

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