SCHEMBL8089460

SCHEMBL8089460

[CH2]CCCN(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
AKT1 P31749 3/20 0.44
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
REN P00797 1/20 0.42
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8525848 0.89 HDAC3 (0.56) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL1848202 0.87 HDAC1 (0.52) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL8021840 0.87 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL5122254 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL12634667 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL8679115 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL5737640 0.86 HDAC1 (0.54) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL19615968 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL5736847 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL25960253 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0890101-A4 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INST (US) 1999-12-08 EP claimed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP claimed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO claimed
US-6143932-A FOR EFFECTING ANALGESIA, A DECREASE IN THE POSTPRANDIAL RISE IN THE BLOOD GLUCOSE LEVELS OF A MAMMAL AFTER INGESTION OF A CARBOHYDRATE LOAD BY SAID MAMMAL, AND TREATING MICROBIAL INFECTIONS TREGA BIOSCIENCES, INC. (US) 2000-11-07 US disclosed
US-6121489-A Selectively N-alkylated peptidomimetic combinatorial libraries and compounds therein TREGA BIOSCIENCES, INC. (US) 2000-09-19 US disclosed
EP-0890101-A4 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INST (US) 1999-12-08 EP disclosed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP disclosed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO disclosed