SCHEMBL29979097

SCHEMBL29979097

OCC(O)CC1COc2ccccc2N1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.36
▸ RIPK1 Q13546 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MTNR1A P48039 3/20 0.35
▸ LTA4H P09960 2/20 0.35

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
SCHEMBL31490092 0.86 HDAC1 (0.34) HTTLMNADRD2DRD3
SCHEMBL23769067 0.86 HDAC1 (0.34) HTTLMNADRD2DRD3
SCHEMBL31490100 0.82 KMT2A (0.38) ALDH1A1HTTLMNARAB9ASMN1; SMN2
SCHEMBL23769065 0.82 KMT2A (0.38) ALDH1A1HTTLMNARAB9ASMN1; SMN2
SCHEMBL29979358 0.74 CCR3 (0.36) HTTSMN1; SMN2
SCHEMBL23769066 0.74 CCR3 (0.36) HTTSMN1; SMN2
SCHEMBL11214418 0.73 SMN1; SMN2 (0.50) SIGMAR1HTR1AALDH1A1NPC1LMNA
SCHEMBL11213584 0.72 LMNA (0.56) SIGMAR1HTR1AALDH1A1GAAHTT
SCHEMBL30343043 0.70 SIRT1 (0.53) SIGMAR1HTR1AALDH1A1GAAHTT
SCHEMBL23769085 0.68 MEN1 (0.39) SIGMAR1ALDH1A1GAALMNADRD2

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-115151304-A Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2022-10-04 — — CN disclosed
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