SCHEMBL31099331

SCHEMBL31099331

Cc1cc(C2(c3ccc(OCCCCO)c(C)c3)c3ccccc3-c3ccccc32)ccc1OCCCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
PDK2 Q15119 9/20 0.43
TLR8 Q9NR97 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MDM2 Q00987 2/20 0.36
VDR P11473 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL382593 1.00 ESR1 (0.54) ESR1ESR2PDK2TLR8ALDH1A1
SCHEMBL383359 0.96 ESR1 (0.55) ESR1ESR2PDK2TLR8ALDH1A1
SCHEMBL29506867 0.96 ESR1 (0.55) ESR1ESR2PDK2TLR8ALDH1A1
SCHEMBL30314588 0.92 ESR1 (0.56) ESR1ESR2PDK2TLR8ALDH1A1
SCHEMBL29385692 0.92 ESR1 (0.56) ESR1ESR2PDK2TLR8ALDH1A1
SCHEMBL346226 0.92 ESR1 (0.56) ESR1ESR2PDK2TLR8ALDH1A1
SCHEMBL29616932 0.88 PDK2 (0.46) ESR1ESR2PDK2KDM4EMEN1
SCHEMBL21295471 0.88 PDK2 (0.46) ESR1ESR2PDK2KDM4EMEN1
SCHEMBL22558054 0.87 ESR1 (0.51) ESR1ESR2PDK2ALDH1A1HPGD
SCHEMBL26983396 0.86 ESR1 (0.59) ESR1ESR2PDK2HPGDTSHR

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
US-20240240046-A1 ANTIREFLECTION FILM, LAMINATE HAVING ANTIREFLECTION FILM, AND METHOD FOR MANUFACTURING ANTIREFLECTION FILM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-07-18 US disclosed