SCHEMBL7636601

SCHEMBL7636601

[CH2]CCCCCCCCCCCCCCCCCOOC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
KDM4E B2RXH2 3/20 0.32
THRB P10828 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
THRA P10827 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
ELANE P08246 1/20 0.30
CYP3A4 P08684 1/20 0.30
ATM Q13315 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 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
SCHEMBL7634305 1.00 ESR1 (0.33) ESR1ALDH1A1SMN1; SMN2KDM4ETHRB
SCHEMBL7623498 1.00 ESR1 (0.33) ESR1ALDH1A1SMN1; SMN2KDM4ETHRB
SCHEMBL7632319 0.98 ALDH1A1 (0.33) ESR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL7635572 0.94 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL7625958 0.87 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL7625906 0.85 ALDH1A1 (0.33) ESR1ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL7633742 0.85 ALDH1A1 (0.33) ESR1ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL7628503 0.85 ALDH1A1 (0.33) ESR1ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL7634755 0.83 CNR2 (0.39) ESR1TDP1L3MBTL1MEN1KMT2A
SCHEMBL7631372 0.83 CNR2 (0.39) ESR1TDP1L3MBTL1MEN1KMT2A

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed