SCHEMBL764403

SCHEMBL764403

CCCC(O)CCOc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.44
▸ POLB P06746 3/20 0.44
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.39
▸ PRMT5 O14744 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
SCHEMBL10046622 0.85 HTT (0.44) SMN1; SMN2ALDH1A1TSHRPOLBHTT
SCHEMBL3312900 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TSHRPOLBHTT
SCHEMBL17146905 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TSHRPOLBHTT
SCHEMBL764372 0.81 TSHR (0.45) SMN1; SMN2ALDH1A1TSHRPOLBHTT
SCHEMBL12444340 0.81 TSHR (0.45) SMN1; SMN2ALDH1A1TSHRPOLBHTT
SCHEMBL3312696 0.80 FAAH (0.50) SMN1; SMN2ALDH1A1TSHRPOLBKMT2A
SCHEMBL3320407 0.80 FAAH (0.50) SMN1; SMN2ALDH1A1TSHRPOLBKMT2A
SCHEMBL3319485 0.80 FAAH (0.50) SMN1; SMN2ALDH1A1TSHRPOLBKMT2A
SCHEMBL3316341 0.80 FAAH (0.50) SMN1; SMN2ALDH1A1TSHRPOLBKMT2A
SCHEMBL3312538 0.80 FAAH (0.50) SMN1; SMN2ALDH1A1TSHRPOLBKMT2A

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
EP-2325169-B1 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES Univ Virginia Patent Found (US) 2015-10-07 — — EP disclosed
EP-2325169-A9 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES University Of Virginia Patent Foundation (US) 2012-03-21 — — EP disclosed
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