SCHEMBL13333203

SCHEMBL13333203

COC(=O)CCCCC(CCSCc1ccccc1)SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL22912360 0.97 CYP2C19 (0.46) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL26613581 0.91 CYP2C19 (0.42) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL26613582 0.89 CYP2C19 (0.41) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL17381511 0.86 CYP2C19 (0.44) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL22912362 0.86 CYP2C19 (0.44) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL17381367 0.86 CYP2C19 (0.49) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
Cpi 613 SCHEMBL1062218 0.85 CYP2C19 (0.59) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
Cpi 613 SCHEMBL13333201 0.85 CYP2C19 (0.59) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL22299026 0.85 CYP2C19 (0.48) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL17381514 0.84 CYP2C19 (0.58) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2

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
WO-2010062381-A1 ORGANELLE-SPECIFIC DRUG DELIVERY SHORR ROBERT (US) 2010-06-03 — — WO disclosed
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