SCHEMBL29316111

SCHEMBL29316111

C=CC(=O)OCCCCCCOC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 1/20 0.49
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP3 P08254 2/20 0.42
MAPT P10636 2/20 0.41
MMP2 P08253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 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
SCHEMBL29321625 1.00 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4HDAC1HDAC2
SCHEMBL29316104 0.99 TSHR (0.46) ALDH1A1TSHRCYP3A4HDAC1HDAC2
SCHEMBL29321600 0.96 TDP1 (0.44) ALDH1A1TSHRCYP3A4HDAC1HDAC2
SCHEMBL29316099 0.93 TDP1 (0.46) ALDH1A1TSHRTDP1L3MBTL1MMP3
SCHEMBL12676172 0.88 HDAC1 (0.50) ALDH1A1TSHRCYP3A4HDAC1HDAC2
SCHEMBL17695235 0.88 TSHR (0.58) ALDH1A1TSHRCYP3A4TDP1MAPT
SCHEMBL4335917 0.87 HTT (0.49) ALDH1A1TSHRHDAC1HDAC2TDP1
SCHEMBL24599323 0.87 MMP3 (0.49) ALDH1A1TSHRCYP3A4HDAC1HDAC2
SCHEMBL16425790 0.87 MMP3 (0.49) ALDH1A1TSHRCYP3A4HDAC1HDAC2
SCHEMBL14130800 0.87 MMP3 (0.49) ALDH1A1TSHRCYP3A4HDAC1HDAC2

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
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed