SCHEMBL28518652

SCHEMBL28518652

CC[C@@H](C)COc1cc(OC)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
KDM4E B2RXH2 3/20 0.48
TP53 P04637 1/20 0.47
FFAR1 O14842 1/20 0.46
GPR88 Q9GZN0 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL28518653 1.00 ELANE (0.50) ELANEKDM4ETP53FFAR1GPR88
SCHEMBL28521129 0.90 GPR88 (0.53) ELANEKDM4ETP53FFAR1GPR88
SCHEMBL28521130 0.90 GPR88 (0.53) ELANEKDM4ETP53FFAR1GPR88
SCHEMBL31685925 0.83 ELANE (0.44) ELANEKDM4ETP53FFAR1GPR88
SCHEMBL1546492 0.82 KDM4E (0.57) KDM4EPOLBAKR1C3AKR1C2SMN1; SMN2
SCHEMBL4306417 0.81 TP53 (0.48) KDM4ETP53TDP1L3MBTL1POLB
SCHEMBL27006310 0.81 TP53 (0.48) KDM4ETP53TDP1L3MBTL1POLB
SCHEMBL7290141 0.79 KDM4E (0.51) KDM4EPOLBAKR1C3AKR1C2SMN1; SMN2
SCHEMBL1552388 0.79 KDM4E (0.55) KDM4EFFAR1TDP1ALDH1A1HPGD
SCHEMBL4304889 0.79 PPARG (0.55) KDM4ETP53POLBAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112322306-B Ultrahigh-polarity chiral liquid crystal material, liquid crystal laser and preparation method thereof 华南理工大学 2022-05-24 CN disclosed
CN-112375168-B Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2022-03-29 CN disclosed
CN-112375168-A Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2021-02-19 CN disclosed
CN-112342032-A Rod-like polar liquid crystal molecule, preparation method thereof and rod-like polar nematic liquid crystal 华南理工大学 2021-02-09 CN disclosed
CN-112322306-A Ultrahigh-polarity chiral liquid crystal material, liquid crystal laser and preparation method thereof 华南理工大学 2021-02-05 CN disclosed