SCHEMBL774736

SCHEMBL774736

C=C(C)C(=O)OCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50
NAPRT Q6XQN6 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.46
FAAH O00519 1/20 0.45
TBXAS1 P24557 7/20 0.45
NAMPT P43490 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL774727 0.88 HSD11B1 (0.44) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL28711108 0.87 KMT2A (0.58) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL11150544 0.86 CHRNA7 (0.48) TDP1CYP19A1NAPRTTBXAS1
SCHEMBL29717321 0.86 CHRNA7 (0.48) TDP1CYP19A1NAPRTTBXAS1
SCHEMBL8746602 0.84 CHRNA7 (0.59) TDP1TBXAS1
SCHEMBL2519199 0.83 ALDH1A1 (0.61) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL28718043 0.83 KMT2A (0.51) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL29404896 0.83 KMT2A (0.51) KMT2ALMNATDP1CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL9220301 0.82 ALDH1A1 (0.59) KMT2ALMNATDP1CYP17A1CYP19A1
SCHEMBL28711109 0.82 KMT2A (0.58) KMT2ALMNATDP1CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10792640-B2 Sorbent material for separating bio-macromolecules QUANTUMDX GROUP LIMITED (GB) 2020-10-06 US disclosed
US-20170282154-A1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES QUANTUMDX GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170282154-A1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES QUANTUMDX GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20120067236-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND RELIEF PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed