SCHEMBL31099232

SCHEMBL31099232

CC(C)(C)c1ccc(-c2ccccc2-c2ccccc2)c(C(C)(C)C)c1.OP(O)OP(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.35
DNMT1 P26358 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL31586293 0.93 ALDH1A1 (0.44) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL28230275 0.90 RXRA (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL27737001 0.89 ALDH1A1 (0.49) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL29798917 0.89 ALDH1A1 (0.49) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL28035578 0.86 ALDH1A1 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30262470 0.84 RXRA (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL29496598 0.84 NPC1 (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Phosphoric Acid SCHEMBL29128797 0.84 NPC1 (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL29549658 0.84 NPC1 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30285371 0.84 ALDH1A1 (0.44) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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-118510756-A Compound, polymer, light stabilizer composition, resin composition, coating composition, article, sealing material, molded article, method for producing weather-resistant resin composition, and method for improving weather resistance of synthetic resin 株式会社ADEKA 2024-08-16 CN disclosed