SCHEMBL28539276

SCHEMBL28539276

C=CC(=O)OCCCc1ccc(C(=O)Oc2ccccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.43
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
THRA P10827 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ALOX5 P09917 1/20 0.40
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL24379077 0.87 L3MBTL1 (0.54) THRBTDP1L3MBTL1RXRARXRB
SCHEMBL3225142 0.87 TDP1 (0.54) THRBTDP1L3MBTL1RXRARXRB
SCHEMBL27862391 0.86 TDP1 (0.53) THRBTDP1L3MBTL1KMT2AMAPT
SCHEMBL28339244 0.85 THRB (0.46) THRBTDP1L3MBTL1THRAKMT2A
SCHEMBL17773133 0.82 THRB (0.56) THRBTHRAKMT2AMAPTTSHR
SCHEMBL14749471 0.81 THRB (0.47) THRBTHRAKMT2AMAPTTSHR
SCHEMBL12769563 0.79 L3MBTL1 (0.43) THRBTDP1L3MBTL1KMT2AMAPT
SCHEMBL30599663 0.79 KMT2A (0.45) TDP1L3MBTL1KMT2AMAPTTSHR
SCHEMBL22430188 0.79 THRB (0.45) THRBTDP1THRAKMT2AMAPT
SCHEMBL14000686 0.79 THRB (0.45) THRBTDP1THRAKMT2AMAPT

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-108073001-B Method for processing photoalignment layer in suitable relative humidity range 香港科技大学 2021-03-30 CN disclosed