SCHEMBL29601985

SCHEMBL29601985

OCCOc1c(OCCO)c(-c2ccc(-c3ccccc3)c3cc(-c4ccccc4)ccc23)c2ccc(-c3ccccc3)cc2c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
PIK3CA P42336 1/20 0.36
EGFR P00533 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SLC6A9 P48067 1/20 0.34
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
ALOX5 P09917 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAP4K4 O95819 1/20 0.33
TYK2 P29597 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL29601768 0.87 ALDH1A1 (0.44) ALDH1A1RECQLMEN1KMT2AMGAM
SCHEMBL29601472 0.77 ALDH1A1 (0.44) ALDH1A1RECQLPIK3CAEGFRMEN1
SCHEMBL26473757 0.76 PIK3CA (0.41) ALDH1A1PIK3CAMEN1KMT2AESR1
SCHEMBL29601565 0.76 HDAC4 (0.39) ALDH1A1RECQLESR1ESR2ALOX5
SCHEMBL29601857 0.75 IDO1 (0.42) ALDH1A1RECQLMEN1KMT2ASLC6A9
SCHEMBL29183756 0.71 ALDH1A1 (0.50) ALDH1A1RECQLMEN1KMT2AGAA
SCHEMBL22115355 0.70 GPR84 (0.40) ALDH1A1PIK3CAMEN1KMT2AESR1
SCHEMBL20772780 0.70 ALDH1A1 (0.55) ALDH1A1RECQLKMT2AGAA
SCHEMBL4585463 0.70 ESR2 (0.47) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL28590274 0.70 ESR2 (0.47) ALDH1A1MEN1KMT2AESR1ESR2

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
CN-114375313-A Thermoplastic resin and optical member comprising the same 帝人株式会社 2022-04-19 CN disclosed