SCHEMBL28628871

SCHEMBL28628871

CC(C)(C)OC(=O)N1CCCC1C(=O)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ATM Q13315 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
RAB9A P51151 1/20 0.61
FKBP1A P62942 5/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.57
PTPN1 P18031 1/20 0.56
KLK7 P49862 1/20 0.55
HDAC8 Q9BY41 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL11096695 1.00 MEN1 (0.61) MEN1KMT2AATMCYP3A4MAPT
SCHEMBL28622807 0.94 CYP3A4 (0.57) MEN1KMT2AATMCYP3A4MAPT
SCHEMBL10709019 0.94 FKBP1A (0.68) MEN1KMT2AATMFKBP1ASMN1; SMN2
SCHEMBL23565690 0.90 FKBP1A (0.64) FKBP1ASMN1; SMN2ALDH1A1
SCHEMBL18257057 0.90 ALDH1A1 (0.56) MEN1KMT2AATMCYP3A4MAPT
SCHEMBL28630307 0.90 LMNA (0.60) MEN1KMT2AATMCYP3A4MAPT
SCHEMBL28626848 0.90 ALDH1A1 (0.56) MEN1KMT2AATMCYP3A4MAPT
SCHEMBL28923360 0.89 ALDH1A1 (0.55) MEN1KMT2AATMCYP3A4MAPT
SCHEMBL28625164 0.89 ALDH1A1 (0.66) MEN1KMT2AATMCYP3A4MAPT
SCHEMBL28622865 0.89 ALDH1A1 (0.55) MEN1KMT2AATMCYP3A4MAPT

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-109641878-B DIPROVOCIM: effective TLR agonist 斯克里普斯研究学院 2021-09-14 CN disclosed