SCHEMBL7601775

SCHEMBL7601775

CCOC(=O)C(C#N)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 3/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
CAD P27708 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
POLB P06746 1/20 0.35
MMP8 P22894 1/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL1194168 0.88 SOAT1 (0.41) ALDH1A1TSHRGAAMGAMSI
SCHEMBL1564967 0.88 SOAT1 (0.41) ALDH1A1TSHRGAAMGAMSI
SCHEMBL2775866 0.86 RXFP1 (0.39) ALDH1A1TSHRGAAMGAMSI
SCHEMBL1968575 0.86 RXFP1 (0.39) ALDH1A1TSHRGAAMGAMSI
SCHEMBL2829956 0.85 APOBEC3G (0.43) ALDH1A1TSHRGAAMGAMSI
SCHEMBL4957669 0.85 APOBEC3G (0.43) ALDH1A1TSHRGAAMGAMSI
SCHEMBL3203978 0.83 MMP8 (0.36) ALDH1A1TSHRGAAMGAMSI
SCHEMBL1967339 0.83 KMT2A (0.41) ALDH1A1TSHRGAAMGAMSI
SCHEMBL20838333 0.83 ALDH1A1 (0.39) ALDH1A1TSHRGAAMGAMSI
SCHEMBL28440232 0.83 ALDH1A1 (0.39) ALDH1A1TSHRGAAMGAMSI

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-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed