SCHEMBL10046622

SCHEMBL10046622

CCC(O)CCCOc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ POLB P06746 3/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KDM4E B2RXH2 2/20 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
SCHEMBL764403 0.85 SMN1; SMN2 (0.45) HTTALDH1A1TSHRPOLBKMT2A
SCHEMBL17146905 0.84 SMN1; SMN2 (0.44) HTTALDH1A1TSHRPOLBKMT2A
SCHEMBL764372 0.83 TSHR (0.45) HTTALDH1A1TSHRPOLBKMT2A
SCHEMBL12444340 0.83 TSHR (0.45) HTTALDH1A1TSHRPOLBKMT2A
SCHEMBL3312900 0.82 SMN1; SMN2 (0.49) HTTALDH1A1TSHRPOLBKMT2A
SCHEMBL10046498 0.80 AR (0.38) HTTTSHRPOLBSMN1; SMN2CYP1A2
SCHEMBL3320407 0.80 FAAH (0.50) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL3312538 0.80 FAAH (0.50) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL3319485 0.80 FAAH (0.50) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL3316341 0.80 FAAH (0.50) ALDH1A1TSHRPOLBKMT2AMEN1

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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