SCHEMBL25056865

SCHEMBL25056865

Bc1c(C)c(O)c(C)c(O)c1-c1c2ccccc2c(-c2ccc(-c3ccccc3)c3ccccc23)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TNNI3 P19429 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TNNT2 P45379 1/20 0.34
▸ TNNC1 P63316 1/20 0.34
▸ RCE1 Q9Y256 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 2/20 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
SCHEMBL23894715 0.83 ESR2 (0.39) ESR2PDCD1CD274HDAC4HDAC2
SCHEMBL23073575 0.83 PDCD1 (0.36) ESR2PDCD1CD274RCE1RAB9A
SCHEMBL23341325 0.81 HDAC4 (0.42) ESR2PDCD1CD274HDAC4HDAC2
SCHEMBL23341150 0.81 PDCD1 (0.35) ESR2PDCD1CD274RCE1RAB9A
SCHEMBL23341893 0.76 PDCD1 (0.33) ESR2PDCD1CD274RCE1RAB9A
SCHEMBL23341894 0.76 HDAC4 (0.48) ESR2PDCD1CD274HDAC4HDAC2
SCHEMBL21484976 0.76 ALDH1A1 (0.35) HDAC4HDAC2HDAC8HDAC6KMT2A
SCHEMBL20962193 0.75 PDCD1 (0.42) ESR2PDCD1CD274KMT2AMEN1
SCHEMBL11978246 0.75 GPR84 (0.37) HDAC4HDAC2HDAC8HDAC6KMT2A
SCHEMBL24897448 0.71 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6KMT2A

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
EP-3750971-B1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO LTD (KR) 2023-02-22 — — EP disclosed
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