SCHEMBL25853141

SCHEMBL25853141

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.37
CES2 O00748 1/20 0.34
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33
PRNP P04156 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL25855039 0.90 THRB (0.36) THRBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25853593 0.86 TYMS (0.39) THRBTSHRMAPK1TYMSTHRA
SCHEMBL25853231 0.85 TUBB4A (0.41) THRBCES2TUBB4ATUBBTUBA3C
SCHEMBL25853135 0.85 THRB (0.34) THRBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25854447 0.84 THRB (0.37) THRBCES2TUBB4ATUBBTUBA3C
SCHEMBL25853142 0.82 ELANE (0.39) CES2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25852962 0.82 THRB (0.44) THRBCES2TUBB4ATUBBTUBA3C
SCHEMBL25853239 0.81 ALDH1A1 (0.33) THRBTYMSKDM4EALDH1A1ESR1
SCHEMBL25855184 0.80 THRB (0.38) THRBHTTTYMSTHRAGAA
SCHEMBL25853371 0.79 TYMS (0.34) THRBTYMSTHRA

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