SCHEMBL7296838

SCHEMBL7296838

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 1/20 0.41
▸ ERAP2 Q6P179 6/20 0.39
▸ IL1RN P18510 5/20 0.39
▸ ERAP1 Q9NZ08 5/20 0.39
▸ NPY4R P50391 2/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.36

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
SCHEMBL7294526 0.89 LCK (0.41) PPIDLCKALDH1A1
SCHEMBL11856676 0.88 LCK (0.49) PPIDERAP2IL1RNERAP1NPY4R
SCHEMBL7296829 0.87 GRB2 (0.47) PPIDERAP2IL1RNERAP1NPY4R
SCHEMBL7302581 0.83 ALDH1A1 (0.43) PPIDLCKALDH1A1
SCHEMBL1068720 0.82 PPID (0.42) PPIDERAP2IL1RNNPY4RNPY1R
SCHEMBL9777176 0.81 CAPN1 (0.54) —
SCHEMBL7295209 0.80 ALOX15 (0.46) LCKALDH1A1
SCHEMBL11853539 0.80 PPID (0.50) PPIDNPY4RNPY1RLCKALDH1A1
SCHEMBL11854644 0.79 LCK (0.60) ERAP2IL1RNERAP1NPY4RNPY1R
SCHEMBL11850734 0.79 LCK (0.53) ERAP2ERAP1LCKALDH1A1LNPEP

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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