SCHEMBL28969089

SCHEMBL28969089

CCCCCCCCCNC(Cc1nnc(-c2ccc(C(=O)O)cc2)o1)C(=O)NCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.44
▸ RARG P13631 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ NAAA Q02083 2/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL28969082 1.00 RARB (0.44) RARBRARGALDH1A1KDM4EHPGD
SCHEMBL30306848 0.90 MGLL (0.45) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL28968987 0.89 GRIA1 (0.47) RARBRARGALDH1A1KDM4EHPGD
SCHEMBL30306849 0.89 GRIA1 (0.47) RARBRARGALDH1A1KDM4EHPGD
SCHEMBL28969078 0.87 HDAC8 (0.45) RARBRARGALDH1A1KDM4EHPGD
SCHEMBL28969088 0.87 HDAC8 (0.45) RARBRARGALDH1A1KDM4EHPGD
SCHEMBL25022775 0.79 LPAR3 (0.46) FAAHCES1
SCHEMBL24073346 0.77 MGLL (0.46) HDAC8HDAC1HDAC2MAPT
SCHEMBL7333177 0.77 RARB (0.57) RARBALDH1A1NPC1RAB9AHDAC8
SCHEMBL24073345 0.73 MGLL (0.41) ALDH1A1HDAC8FAAHCES1MEN1

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-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
Send feedback