SCHEMBL10358142

SCHEMBL10358142

CC(=O)OC(C)OC(=O)N(CC(O)COc1ccc(CC(N)=O)cc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
CNR1 P21554 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
ABCB1 P08183 4/20 0.41
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL661905 0.85 LMNA (0.60) LMNATDP1TSHRADRB2ADRB1
SCHEMBL10357705 0.80 ABCB1 (0.39) LMNATDP1ADRB2ADRB1ADRA1A
SCHEMBL23269346 0.79 LMNA (0.64) LMNATDP1TSHRADRB2ADRB1
SCHEMBL662466 0.79 LMNA (0.64) LMNATDP1TSHRADRB2ADRB1
SCHEMBL11925285 0.79 LMNA (0.64) LMNATDP1TSHRADRB2ADRB1
SCHEMBL11929214 0.78 LMNA (0.63) LMNATDP1TSHRADRB2ADRB1
SCHEMBL669303 0.78 LMNA (0.48) LMNATDP1TSHRADRB2ADRB1
SCHEMBL25722230 0.78 LMNA (0.59) LMNATDP1TSHRADRB2ADRB1
SCHEMBL22398925 0.75 LMNA (0.59) LMNATDP1TSHRADRB2ADRB1
SCHEMBL14283101 0.74 LMNA (0.67) LMNATDP1TSHRADRB2ADRB1

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-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 EP claimed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 EP disclosed