SCHEMBL5682227

SCHEMBL5682227

C=CCCCC(C#N)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 5/20 0.31
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13019950 0.79 PPARG (0.38) MAPTALDH1A1LMNAUSP2
SCHEMBL7620838 0.76 MAPT (0.48) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL5821426 0.75 SLC22A6 (0.43) MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL16639193 0.75 GPR84 (0.47) ALDH1A1
SCHEMBL4747929 0.75 GPR84 (0.52) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL668389 0.75 GPR84 (0.52) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL15227990 0.75 GPR84 (0.38) SMN1; SMN2
SCHEMBL5682272 0.74 MAPT (0.42) MAPTABCC4ALDH1A1LMNA
SCHEMBL29011276 0.74 FOLH1 (0.46) MAPTLMNA
SCHEMBL29011277 0.74 FOLH1 (0.46) MAPTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335904-B1 PRODUCTION OF ALKYL 6-AMINOCAPROATE INVISTA TECH SARL (US) 2006-03-08 EP disclosed
EP-1335904-A2 PRODUCTION OF ALKYL 6-AMINOCAPROATE INVISTA Technologies S.à.r.l. (US) 2003-08-20 EP disclosed
WO-2002040452-A2 PRODUCTION OF ALKYL 6-AMINOCAPROATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-05-23 WO disclosed
US-6365770-B1 HYDROFORMYLATION OF 3-PENTENENITRILE TO PRODUCE 3-,4-,OR 5-FORMYLVALERONITRILE, OXIDATIVE ESTERIFICAITON TO 3-, 4-, OR 5-CYANOVALERATE, ISOLATION OF THE 5-ISOMER FOLLOWED BY HYDROGENATING E. I. DU PONT DE NEMOURS AND COMPANY 2002-04-02 US disclosed