SCHEMBL8980481

SCHEMBL8980481

C=C(C)c1ccccc1COCc1ccccc1C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
IDO1 P14902 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
MAOB P27338 2/20 0.31
HPGD P15428 1/20 0.31
MAOA P21397 1/20 0.31
PAX8 Q06710 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24465597 0.89 ALDH1A1 (0.33) ALDH1A1LMNATSHRKDM4ESMN1; SMN2
SCHEMBL2513310 0.86 ALDH1A1 (0.39) ALDH1A1LMNATSHRKDM4ETP53
SCHEMBL28472244 0.84 ALDH1A1 (0.34) ALDH1A1LMNATSHRKDM4ETP53
SCHEMBL8037773 0.81 ALDH1A1 (0.33) ALDH1A1LMNAKDM4ETP53HTT
SCHEMBL6930273 0.81 ALDH1A1 (0.52) ALDH1A1LMNATSHRKDM4ESMN1; SMN2
SCHEMBL18420150 0.81 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL3284499 0.80 ALDH1A1 (0.43) ALDH1A1LMNATSHRKDM4ESMN1; SMN2
SCHEMBL6666505 0.79 LMNA (0.50) ALDH1A1LMNATSHRKDM4ESMN1; SMN2
SCHEMBL721894 0.78 GABRA1 (0.44) ALDH1A1LMNATSHRTP53HTT
SCHEMBL29396009 0.78 GABRA1 (0.44) ALDH1A1LMNATSHRTP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8211612-A None JP disclosed
CN-107250919-B Toner binder and toner 三洋化成工业株式会社 2021-03-16 CN disclosed
JP-H08211612-A NOVEL RESIST MATERIAL WAKO PURE CHEM IND LTD 1996-08-20 JP disclosed
EP-0397719-B1 ETHERS OF OLIGOMERIC PHENOL-DIALDEHYDE CONDENSATION PRODUCTS AS THERMOSETTING RESINS FOR COMPOSITES ALLIED SIGNAL INC (US) 1994-01-12 EP disclosed