SCHEMBL25853994

SCHEMBL25853994

C=C(C)C(=O)Oc1ccc2c(sc3c(C(F)(F)F)c(OC(=O)C(=C)C)ccc32)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C19 P33261 2/20 0.31
ACACB O00763 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ACACA Q13085 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL25853669 0.93 ELANE (0.31) ELANE
SCHEMBL25859496 0.93 ELANE (0.31) ELANE
SCHEMBL25853849 0.91 AKR1B10 (0.30)
SCHEMBL25871110 0.91 KMT2A (0.34) KMT2ACYP2C19ACACBCYP3A4CYP2C9
SCHEMBL25854078 0.90
SCHEMBL25856101 0.87 ELANE (0.37) ELANEKMT2AATM
SCHEMBL25853240 0.86 ELANE (0.36) ELANEKMT2AATMCYP2C9ALDH1A1
SCHEMBL25853524 0.86 GAA (0.32) KMT2AKDM4EHPGDHSD17B10
SCHEMBL25859675 0.86 KMT2A (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25853367 0.80 ELANE (0.36) ELANEKMT2AATMALDH1A1

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-2023134598-A1 POLYMERISABLE 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-2023134596-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