SCHEMBL28137142

SCHEMBL28137142

CCc1ccc(-c2ccc(C(=O)NC(CC(=O)NO)C(C)N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 5/20 0.47
TAOK3 Q9H2K8 3/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PLK1 P53350 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.37

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
SCHEMBL404732 0.89 TAOK1 (0.48) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL14034030 0.80 TAS1R3 (0.49) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL12361258 0.80 TAS1R3 (0.49) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL1109082 0.80 TAS1R3 (0.49) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL404621 0.80 TAS1R3 (0.49) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL14195928 0.76 TAS1R3 (0.51) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL402511 0.75 TAS1R3 (0.50) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL1109114 0.75 NPC1 (0.53) LMNAALDH1A1NPC1RAB9ATDP1
SCHEMBL13267495 0.75 TAS1R3 (0.52) TAS1R3TAS1R1LMNAALDH1A1PLK1
SCHEMBL401468 0.74 PLK1 (0.63) ALDH1A1PLK1TDP1HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 CN disclosed
CN-101765585-B Antibacterial agent 尔察祯有限公司 2017-03-15 CN disclosed