SCHEMBL8676301

SCHEMBL8676301

CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
TBXA2R P21731 1/20 0.42
PTGFR P43088 1/20 0.42
PTGER2 P43116 1/20 0.42
ALDH1A1 P00352 3/20 0.38
AKR1B1 P15121 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL18853790 1.00 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL670583 1.00 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL8672151 1.00 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL8673306 1.00 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL8674597 1.00 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL1054958 1.00 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL8676435 1.00 ALOX5 (0.44) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL22002778 0.98 ALOX5 (0.46) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL22002780 0.98 ALOX5 (0.46) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL18088611 0.98 ALOX5 (0.46) ALOX5TBXA2RPTGFRPTGER2ALDH1A1

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-5728866-A Process for the preparation of (+)-(1R) -cis-3-oxo-2-pentyl-1-cyclopentaneacetic acid FIRMENICH SA (CH) 1998-03-17 US claimed