SCHEMBL27898043

SCHEMBL27898043

O=C(Oc1ccccc1-c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
LMNA P02545 4/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 5/20 0.50
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
SLC6A3 Q01959 1/20 0.49
TOP1 P11387 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
JAK2 O60674 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL28123080 0.93 RXRA (0.57) RXRARXRBRXRGLMNAKMT2A
SCHEMBL150516 0.90 KMT2A (0.61) RXRARXRBRXRGLMNAALDH1A1
SCHEMBL767483 0.87 ESR1 (0.55) RXRARXRBRXRGLMNAALDH1A1
SCHEMBL9857403 0.85 ESR2 (0.56) RXRARXRBRXRGLMNAALDH1A1
SCHEMBL5162031 0.84 KMT2A (0.63) LMNAKMT2AESR1ESR2MAPT
SCHEMBL11761673 0.84 KMT2A (0.50) RXRARXRBRXRGLMNAALDH1A1
SCHEMBL29905087 0.84 SERPINE1 (0.60) LMNAKMT2AESR1ESR2MAPT
SCHEMBL777827 0.83 KMT2A (0.49) LMNAALDH1A1KMT2AESR1ESR2
SCHEMBL8849838 0.82 ESR1 (0.50) LMNAALDH1A1KMT2AESR1ESR2
SCHEMBL9716693 0.81 ESR1 (0.56) RXRARXRBRXRGLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781426-B Pharmaceutical composition for treating cutaneous burns 45 SEC LLC 2015-01-07 CN disclosed
CN-102781426-A Pharmaceutical composition for treating cutaneous burns 45 SEC LLC 2012-11-14 CN disclosed