SCHEMBL28501911

SCHEMBL28501911

OP(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(P(O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP3 P08254 1/20 0.32
BCL2L1 Q07817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABL1 P00519 1/20 0.30
ABCB1 P08183 1/20 0.30
BCR P11274 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
SCHEMBL4434791 1.00 ESR1 (0.39) ESR1ESR2HTTSMN1; SMN2L3MBTL1
SCHEMBL9818511 0.89 ESR1 (0.32) ESR1ESR2
SCHEMBL8209459 0.88 ALDH1A1 (0.50) ESR1ESR2HTTSMN1; SMN2MMP3
Biphenyl SCHEMBL9777391 0.78 ALDH1A1 (0.53) ESR1ESR2SMN1; SMN2MMP3BCL2L1
SCHEMBL8384606 0.76 ALOX15 (0.53) ESR1ESR2L3MBTL1ALDH1A1CYP3A4
SCHEMBL8346273 0.73 LMNA (0.50) HTTL3MBTL1ALDH1A1CYP3A4TDP1
SCHEMBL8384861 0.73 MAPT (0.50) HTTSMN1; SMN2L3MBTL1ALDH1A1TP53
SCHEMBL3818758 0.73 ACHE (0.50) HTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL11770595 0.73 CYP2A6 (0.50) ALDH1A1TDP1
SCHEMBL12621055 0.73 ORAI1 (0.39) SMN1; SMN2BCL2L1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112154185-B Methacrylic resin composition and molded article 旭化成株式会社 2022-09-27 CN disclosed
CN-108779213-B Methacrylic resin composition and molded article 旭化成株式会社 2021-06-18 CN disclosed
CN-112154185-A Methacrylic resin composition and molded article 旭化成株式会社 2020-12-29 CN disclosed