SCHEMBL25867985

SCHEMBL25867985

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
KMT2A Q03164 4/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 3/20 0.32
GLA P06280 2/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
ELANE P08246 1/20 0.32
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ACHE P22303 1/20 0.31
HIF1A Q16665 1/20 0.30
ATM Q13315 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
SCHEMBL25853240 0.93 ELANE (0.36) KMT2AMAPK1ELANEALDH1A1ATM
SCHEMBL25871110 0.88 KMT2A (0.34) ESR1KMT2AGAAKDM4EGLA
SCHEMBL25867987 0.86 ESR1 (0.34) ESR1KMT2AGAAKDM4EGLA
SCHEMBL25867866 0.85 KMT2A (0.41) ESR1KMT2AGAAKDM4EGLA
SCHEMBL25855862 0.85 KMT2A (0.36) ESR1KMT2AGAALMNAELANE
SCHEMBL25867926 0.84 TUBB4A (0.37) ESR1KMT2AGAAKDM4EGLA
SCHEMBL25853524 0.83 GAA (0.32) KMT2AGAAKDM4EGLAHPGD
SCHEMBL25859675 0.83 KMT2A (0.38) KMT2AGAAKDM4EGLAHPGD
SCHEMBL25854662 0.81 ELANE (0.36) ESR1KMT2AELANEATM
SCHEMBL25853994 0.80 ELANE (0.34) KMT2AKDM4EHPGDHSD17B10ELANE

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