SCHEMBL25852964

SCHEMBL25852964

C=C(C)C(=O)Oc1ccc2c(c1)sc1cc(OC(=O)C(=C)C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
CA2 P00918 5/20 0.41
HTT P42858 2/20 0.40
PRNP P04156 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA2 Q15596 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 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
SCHEMBL21131732 0.92 KMT2A (0.44) ELANEKMT2AATMCA2HTT
SCHEMBL25854317 0.91 KMT2A (0.45) ELANEKMT2AATMCA2HTT
SCHEMBL25853142 0.85 ELANE (0.39) ELANEKMT2AATMCA2HTT
SCHEMBL25853136 0.84 ELANE (0.38) ELANEKMT2AATMCA2HTT
SCHEMBL25853233 0.83 TUBB4A (0.41) ELANEKMT2AATMCA2HTT
SCHEMBL25852968 0.83 HTT (0.42) ELANEKMT2AATMCA2HTT
SCHEMBL16641167 0.81 ELANE (0.49) ELANEKMT2AATMHTTKDM4E
SCHEMBL16641095 0.81 ELANE (0.49) ELANEKMT2AATMHTTKDM4E
SCHEMBL25854449 0.81 ELANE (0.39) ELANEKMT2AATMCA2HTT
SCHEMBL25853240 0.81 ELANE (0.36) ELANEKMT2AATMCA2HTT

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