SCHEMBL25869086

SCHEMBL25869086

C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(c2)sc2cc(OC(=O)C(=C)C)ccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 3/20 0.36
ESR2 Q92731 2/20 0.36
PIK3CA P42336 3/20 0.35
TSHR P16473 2/20 0.33
MCL1 Q07820 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ELANE P08246 1/20 0.33
THRB P10828 2/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 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
SCHEMBL25852968 0.91 HTT (0.42) POLBAPEX1HTTTDP1ESR1
SCHEMBL25854436 0.90 ESR1 (0.35) ESR1ESR2PIK3CAMCL1KMT2A
SCHEMBL25854567 0.86 POLB (0.35) POLBAPEX1HTTTDP1ESR1
SCHEMBL25854443 0.86 POLB (0.35) POLBAPEX1HTTTDP1ESR1
SCHEMBL25854572 0.85 ESR1 (0.36) POLBAPEX1HTTTDP1ESR1
SCHEMBL12073883 0.85 POLB (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL691351 0.84 POLB (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL17750813 0.84 POLB (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL25854317 0.84 KMT2A (0.45) HTTTDP1ESR1TSHRKMT2A
SCHEMBL25855042 0.84 MCL1 (0.35) POLBAPEX1HTTTDP1PIK3CA

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-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