SCHEMBL7605090

SCHEMBL7605090

CCCCOC(=O)C(CO)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NOD1 Q9Y239 2/20 0.39
EPHX1 P07099 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 8/20 0.37
TGFBR1 P36897 1/20 0.37

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
SCHEMBL27647947 1.00 ALDH1A1 (0.44) ALDH1A1ATMHCAR2HPGDTSHR
SCHEMBL12149989 0.87 ALDH1A1 (0.45) ALDH1A1ATMHCAR2HPGDTSHR
SCHEMBL11516612 0.83 PLA2G2A (0.44) ALDH1A1ATMHPGDEPHX1SMN1; SMN2
SCHEMBL7548562 0.81 ALDH1A1 (0.47) ALDH1A1ATMHCAR2HPGDTSHR
SCHEMBL30510660 0.80 ALDH1A1 (0.45) ALDH1A1ATMHCAR2HPGDTSHR
SCHEMBL8656037 0.79 EPHX1 (0.56) EPHX1ACHE
SCHEMBL8655067 0.79 EPHX1 (0.56) EPHX1ACHE
SCHEMBL8655079 0.79 EPHX1 (0.56) EPHX1ACHE
SCHEMBL8654902 0.79 EPHX1 (0.56) EPHX1ACHE
SCHEMBL8655372 0.79 EPHX1 (0.56) EPHX1ACHE

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