SCHEMBL7080628

SCHEMBL7080628

CCC(=O)OC1(CN)CCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.31
CYP19A1 P11511 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31

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
SCHEMBL7075624 0.85 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL13925835 0.84 KDM4E (0.33) ALDH1A1LMNAKDM4ECYP19A1OPRM1
SCHEMBL28563379 0.84 USP2 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL14649899 0.84 KDM4E (0.33) ALDH1A1LMNAKDM4ECYP19A1OPRM1
SCHEMBL12936738 0.84 KDM4E (0.33) ALDH1A1LMNAKDM4ECYP19A1OPRM1
SCHEMBL2611791 0.82 OPRM1 (0.33) ALDH1A1LMNATSHRKDM4ECYP19A1
SCHEMBL7082304 0.81 NAAA (0.44) ALDH1A1LMNATSHR
SCHEMBL4171360 0.81 KDM4E (0.31) KDM4ECYP19A1OPRM1OPRD1OPRK1
SCHEMBL28668092 0.81 ALDH1A1 (0.32) ALDH1A1LMNATSHRKDM4ECYP19A1
SCHEMBL197847 0.80 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR

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