SCHEMBL7296829

SCHEMBL7296829

CCOC(=O)[C@H](Cc1ccc(OP(=O)(O)O)c(O)c1)NC(=O)C(N)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 5/20 0.47
▸ PPID Q08752 1/20 0.39
▸ ERAP2 Q6P179 5/20 0.38
▸ IL1RN P18510 4/20 0.38
▸ ERAP1 Q9NZ08 4/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ LCK P06239 2/20 0.37
▸ LNPEP Q9UIQ6 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
SCHEMBL7294519 0.91 GRB2 (0.46) GRB2PPIDLCKLNPEP
SCHEMBL27406640 0.89 GRB2 (0.47) GRB2NPY1RNPY4R
SCHEMBL7296838 0.87 PPID (0.41) PPIDERAP2IL1RNERAP1NPY1R
SCHEMBL11856676 0.86 LCK (0.49) PPIDERAP2IL1RNERAP1NPY1R
SCHEMBL7302573 0.84 MAPT (0.42) GRB2LCKLNPEP
SCHEMBL9777172 0.82 CAPN1 (0.52) —
Ammonia Solution, Strong SCHEMBL7425286 0.82 CAPN1 (0.51) —
SCHEMBL7295205 0.81 ALOX15 (0.43) GRB2LCK
SCHEMBL1068720 0.80 PPID (0.42) GRB2PPIDERAP2IL1RNNPY1R
SCHEMBL25193395 0.79 GRB2 (0.46) GRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393781-B1 Dopamine pro-drug ZAMBON SPA (IT) 1995-02-08 — — EP disclosed
US-5073547-A DOPAMINE PRO-DRUG SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-17 — — US disclosed
EP-0393781-A2 Dopamine pro-drug ZAMBON GROUP S.p.A. (IT) 1990-10-24 — — EP disclosed
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