SCHEMBL28633645

SCHEMBL28633645

CC(CC(=O)Nc1ccccc1)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.54
EPHX2 P34913 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
RAB9A P51151 2/20 0.48
SLC1A3 P43003 1/20 0.48

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
SCHEMBL2852187 0.82 SIGMAR1 (0.61) HPGDSIGMAR1MAPTRAB9ANPC1
SCHEMBL4849306 0.82 SIGMAR1 (0.61) HPGDSIGMAR1MAPTRAB9ANPC1
SCHEMBL4855673 0.82 SIGMAR1 (0.61) HPGDSIGMAR1MAPTRAB9ANPC1
SCHEMBL28264986 0.79 SIGMAR1 (0.58) HPGDSIGMAR1MAPTRAB9ANPC1
SCHEMBL3021548 0.78 LMNA (0.86) LMNAHPGDTSHRMAPTHDAC3
SCHEMBL8996599 0.78 SIGMAR1 (0.56) HPGDTSHRSIGMAR1MAPTRAB9A
SCHEMBL8996609 0.78 SIGMAR1 (0.56) HPGDTSHRSIGMAR1MAPTRAB9A
SCHEMBL891954 0.78 SIGMAR1 (0.56) HPGDTSHRSIGMAR1MAPTRAB9A
SCHEMBL13645741 0.78 TSHR (0.60) LMNAHPGDTSHRMAPTHDAC3
SCHEMBL8384204 0.78 LMNA (0.59) LMNAHPGDTSHREPHX2MAPT

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-113493393-A Method for olefin chemoselective monofunctional reaction under base catalysis 南京工业大学 2021-10-12 CN disclosed