SCHEMBL30349477

SCHEMBL30349477

CC(=O)CCc1ccccc1C1COCCO1.CC(=O)CCc1ccccc1C1COCCO1.CC(=O)CCc1ccccc1C1COCCO1.[Pd].[Pd]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
IAPP P10997 1/20 0.39
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
HTR5A P47898 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL30349330 1.00 ALDH1A1 (0.40) ALDH1A1LMNAIAPPPTGER4PTGER3
SCHEMBL8938495 0.80 HTR5A (0.32) HTR5A
SCHEMBL9692553 0.77 TAAR1 (0.38) HTR5A
SCHEMBL8938192 0.77 HTR5A (0.32) HTR5A
SCHEMBL3771929 0.77 HTR5A (0.33) HTR5A
SCHEMBL9691832 0.77 HTR5A (0.33) HTR5A
SCHEMBL9692481 0.76 TAAR1 (0.39)
SCHEMBL8553459 0.75 SMN1; SMN2 (0.35) ALDH1A1LMNAHTR5AMAPTSMN1; SMN2
SCHEMBL6794782 0.75 ADRA1A (0.42) HTR5A
SCHEMBL10402771 0.74 HTR5A (0.33) HTR5A

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
WO-2023051793-A1 COMPOUND AS INHIBITOR OF COMPLEMENT FACTOR D, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉朗来科技发展有限公司 2023-04-06 WO disclosed