SCHEMBL28891736

SCHEMBL28891736

CC(C)(C)c1ccc(-c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1.O=[PH](O)O[PH](=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CYP2C9 P11712 1/20 0.37
BACE1 P56817 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
HSD17B2 P37059 1/20 0.36
EGFR P00533 2/20 0.35

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
SCHEMBL28783172 1.00 RXRA (0.40) RXRARXRBNPC1ALDH1A1PLA2G1B
Phosphonic Acid SCHEMBL29555516 0.92 RXRA (0.44) RXRARXRBNPC1ALDH1A1PLA2G1B
SCHEMBL7067289 0.85 NPC1 (0.46) RXRARXRBNPC1ALDH1A1PLA2G1B
SCHEMBL30524348 0.85 NPC1 (0.46) RXRARXRBNPC1ALDH1A1PLA2G1B
SCHEMBL202531 0.84 NPC1 (0.35) RXRARXRBNPC1ALDH1A1PLA2G1B
SCHEMBL455334 0.83 NPC1 (0.44) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL31658325 0.83 NPC1 (0.44) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Phosphoric Acid SCHEMBL17222202 0.83 PTPN5 (0.46) RXRARXRBNPC1ALDH1A1PLA2G1B
Phosphoric Acid SCHEMBL30222232 0.83 PTPN5 (0.46) RXRARXRBNPC1ALDH1A1PLA2G1B
Hypophosphorous Acid SCHEMBL30634526 0.83 RXRA (0.44) RXRARXRBNPC1ALDH1A1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605785-A High-wear-resistance and high-toughness PBT (polybutylene terephthalate) material for automobile stay cables and preparation method thereof 上海聚威新材料股份有限公司 2022-06-10 CN claimed
CN-117487297-A Hydrophilic composite material and preparation method and application thereof 杭州老板电器股份有限公司 2024-02-02 CN disclosed
CN-115197559-B Polyphenyl ether/nylon 56/polyketone alloy material and preparation method thereof 上海聚威新材料股份有限公司 2023-03-21 CN disclosed
CN-115197559-A Polyphenyl ether/nylon 56/polyketone alloy material and preparation method thereof 上海聚威新材料股份有限公司 2022-10-18 CN disclosed
CN-114605785-A High-wear-resistance and high-toughness PBT (polybutylene terephthalate) material for automobile stay cables and preparation method thereof 上海聚威新材料股份有限公司 2022-06-10 CN disclosed