SCHEMBL8417619

SCHEMBL8417619

O[C@@H]1CCCC[C@@H]1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.55
PTGS2 P35354 6/20 0.55
MT-CO1 P00395 1/20 0.55
MT-CO2 P00403 1/20 0.55
SLC18A3 Q16572 6/20 0.54
GBA1 P04062 1/20 0.51
POLB P06746 1/20 0.46

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
SCHEMBL8414650 1.00 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8417618 1.00 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8414647 1.00 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8414651 1.00 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL25698182 0.98 PTGS1 (0.54) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL25698186 0.98 PTGS1 (0.54) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL11591641 0.98 PTGS1 (0.54) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL16766407 0.96 PTGS1 (0.59) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL25698143 0.96 PTGS1 (0.59) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL25698502 0.96 PTGS1 (0.59) PTGS1PTGS2MT-CO1MT-CO2SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863977-B1 PERFUME BASE COMPOSITION KAO CORP (JP) 1999-10-20 EP disclosed
US-5962403-A STABILITY KAO CORPORATION (JP) 1999-10-05 US disclosed
EP-0863977-A1 PERFUME BASE COMPOSITION Kao Corporation (JP) 1998-09-16 EP disclosed
WO-1997006234-A1 PERFUME BASE COMPOSITION KAO CORPORATION (JP) 1997-02-20 WO disclosed