SCHEMBL28221900

SCHEMBL28221900

O=[PH](O)Oc1cccc2ccccc12.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.46
PGR P06401 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OGG1 O15527 1/20 0.42
HTR1B P28222 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
NR2E1 Q9Y466 1/20 0.40

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
SCHEMBL29633517 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL3168240 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDTDP1
Cyclopentane SCHEMBL11606570 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDTDP1
Biphenyl SCHEMBL27947918 0.91 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDTDP1
Selenic Acid SCHEMBL29153984 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL29287257 0.87 HPRT1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL81301 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL27712662 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL11768833 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL30716857 0.79 CA1 (0.35) ALDH1A1KDM4EHSD17B10HPGDTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299783-A High-strength flame-retardant cable material and preparation method thereof 湖南辰砾新材料有限公司 2018-07-20 CN claimed
CN-108299783-A High-strength flame-retardant cable material and preparation method thereof 湖南辰砾新材料有限公司 2018-07-20 CN disclosed