SCHEMBL29705691

SCHEMBL29705691

O=C(O)C1CCOC(c2cccc(OCC(F)(F)F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36

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
SCHEMBL29705710 0.88 DRD2 (0.41) DRD2DRD3ALDH1A1POLBMEN1
SCHEMBL29705700 0.82 SIRT2 (0.41) FFAR1
SCHEMBL29705670 0.82 ACACB (0.42) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL29705548 0.81 SIRT2 (0.42)
SCHEMBL29705602 0.81 SLC2A1 (0.40) FFAR1
SCHEMBL29705686 0.80 GRM5 (0.38) ALDH1A1SMN1; SMN2FFAR1
SCHEMBL29428973 0.77 AKR1C3 (0.42) ALDH1A1POLBGAAHTTAKR1C3
SCHEMBL3859730 0.75 AKR1C3 (0.54) MAPTNOTUMFFAR1AKR1C3AKR1C1
SCHEMBL4618863 0.74 KDM1A (0.43) DRD2DRD3POLBFFAR1AKR1C3
SCHEMBL29705653 0.72 FFAR1 (0.43) FFAR1

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
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed