SCHEMBL25853306

SCHEMBL25853306

C=C(C)C(=O)Oc1ccc2c(c1)sc1c(OC(F)(F)F)c(OC(=O)C(=C)C)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
ELANE P08246 1/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBB6 Q9BUF5 2/20 0.32
TUBB2B Q9BVA1 2/20 0.32
TUBB1 Q9H4B7 2/20 0.32
ICAM1 P05362 1/20 0.32

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
SCHEMBL25867987 0.93 ESR1 (0.34) DYRK1AELANEKMT2AESR1CSNK1D
SCHEMBL25856162 0.92 KMT2A (0.35) DYRK1AELANEKMT2AATMESR1
SCHEMBL25854668 0.87 ELANE (0.34) DYRK1AELANEKMT2AATMTUBB4A
SCHEMBL25854312 0.87 ELANE (0.33) ELANEKMT2AATM
SCHEMBL25853233 0.86 TUBB4A (0.41) ELANEKMT2AATMTUBB4ATUBB
SCHEMBL25853240 0.84 ELANE (0.36) DYRK1AELANEKMT2AATMTUBB4A
SCHEMBL25853304 0.83 ESR1 (0.35) DYRK1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25859851 0.82 ELANE (0.30) ELANE
SCHEMBL25853136 0.82 ELANE (0.38) ELANEKMT2AATMTUBB4ATUBB
SCHEMBL25853530 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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