SCHEMBL749367

SCHEMBL749367

CC(C)(C)c1ccc(CN(CCc2ccc3c(c2)OCO3)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
BMP1 P13497 1/20 0.35

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
SCHEMBL745530 0.87 HDAC1 (0.41) BMP1
SCHEMBL748197 0.86 SRC (0.36) ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL749647 0.86 LMNA (0.39) ALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL749300 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL750950 0.86 SRC (0.36) ALDH1A1SMN1; SMN2TP53MAPTTSHR
SCHEMBL750133 0.86 SRC (0.36) SLC6A4HTR2ATP53MAPT
SCHEMBL747722 0.86 ESRRG (0.41) ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL750906 0.86 TP53 (0.39) SMN1; SMN2TP53MAPT
Hydrochloric Acid SCHEMBL751875 0.86 SRC (0.36) ALDH1A1SMN1; SMN2TP53MAPTTSHR
SCHEMBL749993 0.85 LPAR1 (0.39) ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed