SCHEMBL8570310

SCHEMBL8570310

OCCCc1cnc(-c2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 1/20 0.56
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 3/20 0.48
QPCT Q16769 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGDS O60760 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL2821115 0.83 HDAC1 (0.56) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL2226543 0.83 HDAC1 (0.52) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL1895825 0.82 CYP11B1 (0.56) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL14829708 0.82 KDM4E (0.42) HDAC1HDAC2CYP11B1QPCTSMN1; SMN2
SCHEMBL8971551 0.82 HDAC1 (0.55) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL8911377 0.82 HDAC1 (0.55) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL7104503 0.81 CYP11B1 (0.51) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL27992982 0.79 CYP11B1 (0.50) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL12844399 0.79 CYP11B1 (0.54) HDAC1HDAC2CYP11B1CYP11B2QPCT
SCHEMBL2226354 0.79 CYP11B1 (0.53) HDAC1HDAC2CYP11B1CYP11B2QPCT

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
CN-1059445-C Novel derivatives of erythromycin, their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-12-13 CN disclosed
US-5760233-A CHEMICAL INTERMEDIATES FOR MAKING ERYTHROMYCINS ANTIBIOTICS ROUSSEL UCLAF (FR) 1998-06-02 US disclosed
US-5656607-A Erythromycin derivatives ROUSSEL UCLAF (FR) 1997-08-12 US disclosed
CN-1126997-A Novel erythromycin derivatives, method for preparing same and use thereof as drugs ROUSSEL UCLAF (FR) 1996-07-17 CN disclosed