SCHEMBL25876292

SCHEMBL25876292

C=C(C)C(=O)Oc1ccc(-c2ccc3c(c2)oc2c(C(F)(F)F)c(OC(=O)C(=C)C)ccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
ELANE P08246 1/20 0.36
KMT2A Q03164 4/20 0.34
ATM Q13315 1/20 0.34
KIF11 P52732 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PPARG P37231 2/20 0.31
FPR1 P21462 1/20 0.31
HSD11B1 P28845 1/20 0.31
NR1H2 P55055 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
EPHX2 P34913 1/20 0.31
GLA P06280 1/20 0.31
RXRA P19793 2/20 0.31

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
SCHEMBL25873793 0.91 CYP2C9 (0.42) CYP2C9ELANEKMT2AATMPPARG
SCHEMBL25876637 0.85 ADORA3 (0.35) ELANEKMT2AATMADORA3ABCG2
SCHEMBL25875212 0.85 ALDH1A1 (0.38) CYP2C9ELANEKMT2AATMPPARG
SCHEMBL25876563 0.85 ELANE (0.37) CYP2C9ELANEKMT2AATMKIF11
SCHEMBL25902955 0.85 KDM4E (0.41) CYP2C9ELANEKMT2AFPR1ALDH1A1
SCHEMBL25875550 0.84 KMT2A (0.39) CYP2C9ELANEKMT2AATMADORA3
SCHEMBL25876291 0.84 CYP2C9 (0.35) CYP2C9KMT2AKIF11ADORA3PPARG
SCHEMBL25876382 0.84 NR1H3 (0.36) CYP2C9PPARGNR1H2PPARDPPARA
SCHEMBL25875843 0.83 ABCG2 (0.38) ELANEKMT2AATMADORA3ABCG2
SCHEMBL25874692 0.83 ELANE (0.34) CYP2C9ELANEKMT2AATMALDH1A1

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
WO-2023134595-A1 POLYMERIZABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed
WO-2023134594-A1 NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed