SCHEMBL7075624

SCHEMBL7075624

CCCC(=O)OC1(CN)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 1/20 0.30
KDM4E B2RXH2 3/20 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
SCHEMBL7082304 0.88 NAAA (0.44) ALDH1A1LMNATSHRNAAA
SCHEMBL7075167 0.86 NAAA (0.42) ALDH1A1LMNATSHRNAAA
SCHEMBL12197285 0.85 ALDH1A1 (0.41) ALDH1A1LMNATSHRNAAAKDM4E
SCHEMBL7080628 0.85 USP2 (0.37) ALDH1A1LMNAUSP2CYP1A2TSHR
SCHEMBL13168153 0.83 ALDH1A1 (0.43) ALDH1A1LMNATSHRNAAA
SCHEMBL28563379 0.81 USP2 (0.39) ALDH1A1LMNAUSP2CYP1A2TSHR
SCHEMBL11042198 0.81 CYP2C19 (0.40) ALDH1A1LMNAUSP2CYP1A2TSHR
SCHEMBL28551841 0.78 ALDH1A1 (0.35) ALDH1A1LMNATSHRKDM4E
SCHEMBL28417931 0.78 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2NAAAKDM4E
SCHEMBL197847 0.77 ALDH1A1 (0.39) ALDH1A1LMNAUSP2CYP1A2TSHR

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-1322335-A2 STABLE SOLID DOSAGE FORMS OF AMINO ACIDS AND PROCESSES FOR PRODUCING SAME Sigmapharm, Inc. (US) 2003-07-02 EP disclosed
WO-2002026263-A2 STABLE SOLID DOSAGE FORMS OF AMINO ACIDS AND PROCESSES FOR PRODUCING SAME SIGMAPHARM, INC. (US) 2002-04-04 WO disclosed