SCHEMBL21101844

SCHEMBL21101844

C=C(C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C(F)(F)F)cc2OC(=O)C(=C)C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
KIF11 P52732 1/20 0.36
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
GAPDH P04406 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SRD5A2 P31213 1/20 0.32
ELANE P08246 3/20 0.31
CYP2C9 P11712 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
PDK2 Q15119 1/20 0.30
APP P05067 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
SCHEMBL15342844 0.90 GAPDH (0.33) BACE1KIF11FFAR4PTGDR2GAPDH
SCHEMBL15339126 0.85 ELANE (0.36) BACE1PTGDR2GAPDHELANEKDM4E
SCHEMBL21101846 0.81 KIF11 (0.40) KIF11AKR1C2PTGDR2GAPDHSMN1; SMN2
SCHEMBL21101841 0.80 ELANE (0.50) BACE1GAPDHSMN1; SMN2ELANECYP2C9
SCHEMBL2606420 0.79 PTPN5 (0.47) KIF11CYP1A2CYP2C19RXRARXRB
SCHEMBL17433313 0.79 ELANE (0.49) BACE1GAPDHSMN1; SMN2ELANECYP2C9
SCHEMBL2604658 0.79 LMNA (0.43) KIF11FFAR4SMN1; SMN2KDM4EPTPN1
SCHEMBL17370870 0.79 ACACB (0.33) ELANE
SCHEMBL15338965 0.78 BACE1 (0.49) BACE1GAPDHSMN1; SMN2ELANECYP2C9
SCHEMBL2606426 0.78 LMNA (0.36) ELANEPDK2

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-11015122-B2 Liquid crystal composition and liquid crystal display element SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-05-25 US disclosed
US-20190185752-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-06-20 US disclosed