SCHEMBL15865950

SCHEMBL15865950

CCOC(=O)C(CSSCC(NC(N)=O)C(=O)OCC)NC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAD P27708 1/20 0.62
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
METAP2 P50579 4/20 0.38
METAP1 P53582 4/20 0.38
PPID Q08752 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL2953807 0.83 CYP1A2 (0.44) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL2953811 0.83 CYP1A2 (0.44) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL2953812 0.83 CYP1A2 (0.44) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL19216892 0.79 ITGB1 (0.43) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL30416798 0.78 CAD (0.40) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL11773441 0.77 SMN1; SMN2 (0.46) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL11773446 0.77 SMN1; SMN2 (0.46) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL18774374 0.77 L3MBTL1 (0.45) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL24378377 0.76 CYP1A2 (0.40) CADCYP1A2CYP2C9CYP2C19HTT
SCHEMBL12438545 0.76 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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
US-8771310-B2 Anti-no-reflow guide wire for vascular interventional procedures ADENOPAINT, LLC (US) 2014-07-08 US disclosed