SCHEMBL7208359

SCHEMBL7208359

C[CH]CNC(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MMP13 P45452 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3993032 0.85 LMNA (0.62) POLBLMNAALDH1A1GAANPC1
SCHEMBL9068167 0.83 PKM (0.68) POLBLMNAALDH1A1GAANPC1
SCHEMBL7212022 0.83 CYP1A2 (0.56) LMNAALDH1A1GAANPC1RAB9A
SCHEMBL9769939 0.82 GAA (0.61) POLBLMNAALDH1A1GAANPC1
SCHEMBL15566434 0.81 LMNA (0.64) POLBLMNAALDH1A1GAANPC1
SCHEMBL15566432 0.81 LMNA (0.54) POLBLMNAALDH1A1GAANPC1
SCHEMBL9937778 0.80 LMNA (0.53) POLBLMNAALDH1A1GAANPC1
SCHEMBL27887224 0.80 NPC1 (0.54) POLBLMNAALDH1A1GAANPC1
SCHEMBL11220601 0.79 LMNA (0.85) POLBLMNAALDH1A1GAANPC1
SCHEMBL10604141 0.78 LMNA (0.63) POLBLMNAALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed