SCHEMBL2179244

SCHEMBL2179244

O=C(Oc1ccccc1)C(=Cc1ccccc1)CC1CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
MGLL Q99685 3/20 0.38
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
MIF P14174 1/20 0.35
HTR1A P08908 2/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 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
SCHEMBL1774350 0.82 CYP3A4 (0.53) TDP1CYP3A4CYP2C9KMT2ARECQL
SCHEMBL3194430 0.78 CYP3A4 (0.41) CYP3A4CYP2C9KMT2ARECQLMEN1
SCHEMBL4441964 0.77 TDP1 (0.45) TDP1CYP3A4MGLLALDH1A1RAB9A
SCHEMBL28348713 0.76 KMT2A (0.51) CYP3A4CYP2C9KMT2ARECQLMEN1
SCHEMBL28173118 0.74 TDP1 (0.42) TDP1MGLLALDH1A1RAB9AMIF
SCHEMBL529080 0.73 TDP1 (0.41) TDP1MGLLALDH1A1RAB9AMIF
SCHEMBL1758926 0.72 TDP1 (0.44) TDP1CYP3A4MGLLALDH1A1HTR1A
SCHEMBL529078 0.72 TDP1 (0.41) TDP1MGLLALDH1A1RAB9AMIF
SCHEMBL28038450 0.72 TDP1 (0.41) TDP1MGLLALDH1A1RAB9AMIF
SCHEMBL27731301 0.72 TDP1 (0.40) TDP1CYP3A4CYP2C9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018288-A1 CURABLE COMPOSITIONS WITH CROSSLINKERS FOR ADDITIVE MANUFACTURING ALIGN TECHNOLOGY, INC. 2024-01-18 US disclosed
WO-2023083080-A1 TRANSPARENT EMBEDDING SOLVENT SYSTEM AND USE THEREOF CHINESE INSTITUTE FOR BRAIN RESEARCH, BEIJING (CN) 2023-05-19 WO disclosed
US-7985455-B2 Polymerizable liquid crystal compound, liquid crystal composition, and polymer JNC CORPORATION (JP) 2011-07-26 US disclosed