SCHEMBL8696476

SCHEMBL8696476

CC[CH]OC(CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARA Q07869 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL6379590 0.79
SCHEMBL8695403 0.79
SCHEMBL780457 0.77
SCHEMBL444377 0.72 SMN1; SMN2 (0.48) SMN1; SMN2CA2MAPK1PPARACHRM1
SCHEMBL23829498 0.70
Hydrochloric Acid SCHEMBL8686133 0.70
Hydrochloric Acid SCHEMBL8686131 0.70
SCHEMBL8686725 0.70
Hydrochloric Acid SCHEMBL8688852 0.70
SCHEMBL27692046 0.70

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
WO-1998035677-A1 NON-SEDATING HISTAMINE ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF BRIDGE PHARMA, INC. (US) 1998-08-20 WO claimed
WO-1998035677-A1 NON-SEDATING HISTAMINE ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF BRIDGE PHARMA, INC. (US) 1998-08-20 WO disclosed