SCHEMBL8522019

SCHEMBL8522019

CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
NOTUM Q6P988 1/20 0.44
GPR119 Q8TDV5 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL3442272 0.88 BCHE (0.43) BCHEGPR119
SCHEMBL7321256 0.83 NOTUM (0.60) NOTUMNPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL7311635 0.83 NOTUM (0.60) NOTUMNPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL927332 0.81 ACE (0.55)
SCHEMBL705456 0.81 ACE (0.55)
SCHEMBL29443087 0.81 ACE (0.55)
SCHEMBL31092820 0.81 ACE (0.55)
SCHEMBL3702462 0.81 ACE (0.55)
SCHEMBL29545684 0.81 ACE (0.55)
SCHEMBL13108813 0.80 NOTUM (0.65) NOTUMNPC1ALDH1A1CYP1A2CYP2C19

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-0896580-A1 SPECIFIC IMMUNOPHILIN LIGANDS AS ANTIASTHMATICS AND IMMUNOSUPPRESSANTS ASTA Medica Aktiengesellschaft (DE) 1999-02-17 EP disclosed
WO-1997041148-A1 SPECIFIC IMMUNOPHILIN LIGANDS AS ANTIASTHMATICS AND IMMUNOSUPPRESSANTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1997-11-06 WO disclosed