SCHEMBL28642116

SCHEMBL28642116

O=C(NCCc1ccccc1F)OC(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL28622914 0.75 CES2 (0.52) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL28625455 0.75 KDM4E (0.49) NAMPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL28630343 0.74 GLA (0.58) KDM4EALDH1A1POLBKMT2ANPC1
SCHEMBL28640398 0.74 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL28923423 0.74 CNR1 (0.51) CNR1ALDH1A1NPC1RAB9ATAAR1
SCHEMBL28631610 0.74 NPC1 (0.48) CNR1ALDH1A1NPC1RAB9ATAAR1
SCHEMBL16825194 0.72 GRIN2B (0.57) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL31686065 0.72 NPC1 (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL26646019 0.72 NPC1 (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL28625023 0.71 CYP3A4 (0.47) CNR1ALDH1A1POLBHSD17B10HPGD

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-109641878-B DIPROVOCIM: effective TLR agonist 斯克里普斯研究学院 2021-09-14 — — CN disclosed
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