SCHEMBL18083802

SCHEMBL18083802

NCCCOc1cc(C=O)ccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.50
▸ ALDH1A1 P00352 14/20 0.46
▸ HPGD P15428 9/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HTT P42858 3/20 0.46
▸ MAPT P10636 10/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C9 P11712 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ APP P05067 1/20 0.38
▸ TRIM24 O15164 1/20 0.38

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
SCHEMBL22160238 0.90 FDPS (0.56) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL22160252 0.88 FDPS (0.54) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL18083803 0.86 FDPS (0.50) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL26908625 0.83 FDPS (0.54) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL22160263 0.83 FDPS (0.57) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL22160286 0.83 FDPS (0.57) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL22160278 0.83 FDPS (0.57) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL18083862 0.82 FDPS (0.47) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL18083848 0.82 FDPS (0.47) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL15087786 0.82 FDPS (0.53) FDPSALDH1A1HPGDSMN1; SMN2HTT

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
EP-2863925-B1 SIALIC ACID DERIVATIVES BROSSMER REINHARD (DE) 2016-09-14 — — EP disclosed
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