1,5-Pentanediol

1,5-Pentanediol

SCHEMBL8907420

CCC(C)(O)CCC(C)(O)CC.OCCCCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28595141 0.92 CYP4F2 (0.44) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL4951484 0.92
SCHEMBL581623 0.90 SMN1; SMN2 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL2638799 0.90 SMN1; SMN2 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1052050 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTDP1
SCHEMBL6992626 0.81 CYP4F2 (0.37) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL17644632 0.81 MEN1 (0.37) ALDH1A1LMNAHSD17B10MEN1KMT2A
1,6-Hexanediol SCHEMBL28844927 0.80 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL483114 0.80
SCHEMBL16074873 0.78 CYP4F2 (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A

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-0772609-A1 CYCLIC KETONE PEROXIDE FORMULATIONS Akzo Nobel N.V. (NL) 1997-05-14 EP claimed
WO-1996003397-A1 CYCLIC KETONE PEROXIDE FORMULATIONS AKZO NOBEL N.V. (NL) 1996-02-08 WO claimed