SCHEMBL9730955

SCHEMBL9730955

CCCCCCOC(C)C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
NAAA Q02083 1/20 0.42
FFAR1 O14842 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
CES2 O00748 1/20 0.41
MAPT P10636 1/20 0.41
DNM1 Q05193 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
PLA2G4B P0C869 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL9730119 1.00 ACE2 (0.43) ACE2GPR84NAAAFFAR1TP53
SCHEMBL9730313 1.00 ACE2 (0.43) ACE2GPR84NAAAFFAR1TP53
SCHEMBL9730225 0.92 ALDH1A1 (0.40) ACE2GPR84FFAR1TP53TSHR
SCHEMBL9730046 0.92 ALDH1A1 (0.40) ACE2GPR84FFAR1TP53TSHR
Hydrochloric Acid SCHEMBL10513248 0.90 ALDH1A1 (0.39) ACE2GPR84FFAR1TP53TSHR
Hydrochloric Acid SCHEMBL9730267 0.90 ALDH1A1 (0.39) ACE2GPR84FFAR1TP53TSHR
SCHEMBL9730213 0.84 TDP1 (0.36) ACE2GPR84TP53HCAR2
SCHEMBL10590620 0.80 HCAR2 (0.41) ACE2GPR84NAAAFFAR1TP53
SCHEMBL9815330 0.80 ACE2 (0.47) ACE2GPR84FFAR1TP53TSHR
SCHEMBL10593296 0.80 HCAR2 (0.41) ACE2GPR84NAAAFFAR1TP53

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
US-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP disclosed