SCHEMBL28015083

SCHEMBL28015083

[CH2]CC(=O)c1ccc(Br)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.59
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 1/20 0.38
GPR27 Q9NS67 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
KAT6A Q92794 1/20 0.38
GALR3 O60755 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
SCHEMBL29993519 0.83 DGAT1 (0.61) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL691531 0.83 DGAT1 (0.61) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL23754470 0.83 DGAT1 (0.61) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL2617372 0.81 DGAT1 (0.65) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL29688799 0.81 DGAT1 (0.59) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL12609856 0.81 DGAT1 (0.59) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL153069 0.81 DGAT1 (0.59) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL11900526 0.79 DGAT1 (0.56) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL17506959 0.79 DGAT1 (0.56) DGAT1NPC1ALDH1A1LMNARAB9A
SCHEMBL3054837 0.79 DGAT1 (0.56) DGAT1NPC1ALDH1A1LMNARAB9A

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-114787147-A Heterocyclic compounds as modulators of interferon gene Stimulators (STING) 雷沃医疗有限公司 2022-07-22 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed