SCHEMBL9730270

SCHEMBL9730270

CCCCCOC(C)(CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
NAAA Q02083 1/20 0.39
CES2 O00748 6/20 0.39
HCAR2 Q8TDS4 2/20 0.39
PLA2G4B P0C869 1/20 0.39
CES1 P23141 4/20 0.38
EPHX1 P07099 1/20 0.37
AKR1B1 P15121 1/20 0.37
RARB P10826 1/20 0.37

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
SCHEMBL10865018 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL9688316 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL10867509 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL10866687 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL10867800 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL10868195 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL10868221 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL10866483 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL10866068 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2
SCHEMBL9687886 0.98 LPAR3 (0.42) TP53TSHRLPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 EP claimed
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