SCHEMBL12444340

SCHEMBL12444340

CC(O)CCCCOc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 3/20 0.44
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL764372 1.00 TSHR (0.45) TSHRSMN1; SMN2CYP1A2POLBHTT
SCHEMBL764343 0.84 PDE3B (0.35) TSHRSMN1; SMN2CYP1A2
SCHEMBL765125 0.84 TSHR (0.44) TSHRSMN1; SMN2CYP1A2POLBHTT
SCHEMBL10046498 0.84 AR (0.38) TSHRSMN1; SMN2CYP1A2POLBHTT
SCHEMBL765584 0.83 AR (0.36) TSHRSMN1; SMN2CYP1A2POLB
SCHEMBL10046622 0.83 HTT (0.44) TSHRSMN1; SMN2CYP1A2POLBHTT
SCHEMBL3319485 0.81 FAAH (0.50) TSHRSMN1; SMN2POLBKMT2AMEN1
SCHEMBL3312696 0.81 FAAH (0.50) TSHRSMN1; SMN2POLBKMT2AMEN1
SCHEMBL3320407 0.81 FAAH (0.50) TSHRSMN1; SMN2POLBKMT2AMEN1
SCHEMBL3312538 0.81 FAAH (0.50) TSHRSMN1; SMN2POLBKMT2AMEN1

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-1919867-B1 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES Univ Virginia Patent Found (US) 2011-08-17 — — EP disclosed
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