SCHEMBL28530862

SCHEMBL28530862

C=C(C)C(=O)NCCCNC(=O)c1ccccc1C(=O)c1ccccc1C(=O)c1ccccc1C(=O)c1ccccc1C(=O)c1ccccc1C(=O)c1ccccc1C(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
OPRL1 P41146 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NLRP1 Q9C000 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NAAA Q02083 1/20 0.42
LMNA P02545 2/20 0.41
ELANE P08246 1/20 0.41
POLB P06746 2/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL6041159 0.96 HTT (0.51) TSHRHTTHDAC3HDAC1HPGD
SCHEMBL82458 0.88 NPC1 (0.55) HDAC3HDAC1HPGDSMN1; SMN2NPC1
SCHEMBL19272602 0.84 TSHR (0.49) TSHRHTTHDAC3HDAC1HPGD
SCHEMBL25341219 0.84 NPC1 (0.50) HDAC3HDAC1HPGDSMN1; SMN2NPC1
SCHEMBL6135253 0.82 NPC1 (0.61) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL31174260 0.82 SMN1; SMN2 (0.55) HDAC3HDAC1HPGDSMN1; SMN2NPC1
SCHEMBL16670767 0.82 SMN1; SMN2 (0.55) HDAC3HDAC1HPGDSMN1; SMN2NPC1
SCHEMBL15768755 0.81 LMNA (0.49) HDAC3HDAC1HPGDSMN1; SMN2NPC1
SCHEMBL15768756 0.81 LMNA (0.49) HDAC3HDAC1HPGDSMN1; SMN2NPC1
SCHEMBL3621146 0.81 ALDH1A1 (0.48) HTTHPGDSMN1; SMN2NPC1RAB9A

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-108697825-B Lubricious coatings having surface salt groups 苏尔莫迪克斯公司 2021-02-12 CN disclosed