SCHEMBL10777119

SCHEMBL10777119

CC(C)OC(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 3/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ ADRA1B P35368 1/20 0.55
▸ KDM4E B2RXH2 5/20 0.48
▸ GLA P06280 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ RAB9A P51151 3/20 0.45
▸ AGTR1 P30556 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL11601269 0.88 KDM4E (0.46) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL11168970 0.88 ADRA1A (0.47) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL9598363 0.86 ADRA1A (0.59) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL11795717 0.84 KDM4E (0.45) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL2707530 0.84 KDM4E (0.66) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL10776454 0.82 CA12 (0.59) ADRA1AADRA1DADRA1BPOLB
SCHEMBL690246 0.80 KDM4E (0.53) KDM4EGLAALDH1A1NPC1HPGD
SCHEMBL1203726 0.80 TSHR (0.61) ADRA1AADRA1DADRA1BKDM4EALDH1A1
SCHEMBL12812270 0.80 ALDH1A1 (0.54) ADRA1AADRA1DADRA1BKDM4EALDH1A1
SCHEMBL9716704 0.80 KDM4E (0.49) KDM4EGLAALDH1A1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052094-A1 N-isopropoxycarbonylphenylglycines and their production BIOCHEMIE Gesellschaft m.b.H. (AT) 1982-05-19 — — EP claimed
US-4708825-A Process for the production of penicillins BIOCHEMIE (AT) 1987-11-24 — — US disclosed
EP-0018546-B1 PROCESS FOR THE PRODUCTION OF PHENYLGLYCYL CHLORIDE HYDROCHLORIDES BIOCHEMIE Gesellschaft m.b.H. (AT) 1983-09-28 — — EP disclosed
EP-0052094-A1 N-isopropoxycarbonylphenylglycines and their production BIOCHEMIE Gesellschaft m.b.H. (AT) 1982-05-19 — — EP disclosed
EP-0052094-A1 N-isopropoxycarbonylphenylglycines and their production BIOCHEMIE Gesellschaft m.b.H. (AT) 1982-05-19 — — EP disclosed
EP-0018546-A2 Process for the production of phenylglycyl chloride hydrochlorides BIOCHEMIE Gesellschaft m.b.H. (AT) 1980-11-12 — — EP disclosed
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