SCHEMBL26934730

SCHEMBL26934730

CCCCC(CC)CN1C(=O)c2ccc(Br)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ CES1 P23141 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CUL4A Q13619 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ S100A4 P26447 1/20 0.34
▸ PTPRC P08575 1/20 0.34

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
SCHEMBL25221191 0.92 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL26934738 0.85 CHRM2 (0.46) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL12502653 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL10662101 0.84 CASP1 (0.46) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL28415339 0.83 CES1 (0.42) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL30267407 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL29823353 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL13058802 0.83 CES1 (0.42) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL13058805 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL29783582 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4ETHRBHPGD

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-4289883-A1 CURABLE RESIN COMPOSITION ADEKA CORPORATION (JP) 2023-12-13 — — EP disclosed
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