SCHEMBL2484444

SCHEMBL2484444

CCCCOC(=O)NC(C#N)CCC#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ACHE P22303 8/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSK P43235 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL16119729 0.78 CTSS (0.47) EPHX1ACHECTSSCTSLCTSK
SCHEMBL17888970 0.77 CTSS (0.46) EPHX1ACHECTSSCTSLSMN1; SMN2
SCHEMBL10772419 0.75 EPHX1 (0.43) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL19105332 0.74 TSHR (0.45) EPHX1TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL26293402 0.74 EPHX1 (0.47) EPHX1ACHE
SCHEMBL8326965 0.74 CTSC (0.56) CTSSCTSLCTSK
SCHEMBL17449776 0.74 CTSK (0.55) CTSSCTSLCTSK
SCHEMBL21359118 0.74 HRH3 (0.42) EPHX1ACHESMN1; SMN2NPC1HPGD
SCHEMBL3238391 0.74 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL3238402 0.74 CTSS (0.50) CTSSCTSLCTSK

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-2376477-A2 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES Taigen Biotechnology Co., Ltd. (TW) 2011-10-19 EP disclosed
WO-2010077798-A2 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-07-08 WO disclosed