SCHEMBL28820428

SCHEMBL28820428

NC(=O)OCCCCCCC(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ TSHR P16473 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPC1 O15118 1/20 0.47
▸ TRPM8 Q7Z2W7 12/20 0.44
▸ LMNA P02545 2/20 0.41
▸ MC4R P32245 1/20 0.40
▸ MC5R P33032 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ PKM P14618 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
SCHEMBL6121958 0.86 POLB (0.76) POLBTDP1TSHRTRPM8LMNA
SCHEMBL6122896 0.86 POLB (0.76) POLBTDP1TSHRTRPM8LMNA
SCHEMBL6121430 0.85 POLB (0.78) POLBTDP1TSHRL3MBTL1ALDH1A1
SCHEMBL6122368 0.82 POLB (0.66) POLBTDP1TSHRL3MBTL1ALDH1A1
SCHEMBL6122020 0.82 POLB (0.78) POLBTDP1TSHRTRPM8LMNA
SCHEMBL6122800 0.79 POLB (0.69) POLBTDP1TSHRTRPM8LMNA
SCHEMBL21114755 0.79 TSHR (0.45) POLBTDP1TSHRL3MBTL1ALDH1A1
SCHEMBL21114756 0.79 TSHR (0.45) POLBTDP1TSHRL3MBTL1ALDH1A1
SCHEMBL7662082 0.79 SMN1; SMN2 (0.71) POLBTSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6122191 0.78 POLB (0.68) POLBTDP1TSHRALDH1A1TRPM8

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-107820429-B Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants 7山药物有限责任公司 2022-08-16 — — CN disclosed
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