SCHEMBL748464

SCHEMBL748464

CC(C)(C)c1ccc(CN(CCc2ccc3c(c2)OCO3)C(=O)c2cc(Cl)cc3c2NCCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 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
SCHEMBL749300 0.89 ALDH1A1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL745512 0.88 OPRM1 (0.34) ALDH1A1MAPTMEN1KMT2A
SCHEMBL746591 0.87 PARP1 (0.33) ALDH1A1MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL747110 0.87 OPRM1 (0.34) ALDH1A1MAPTMEN1KMT2A
SCHEMBL751012 0.86 PARP1 (0.36) MAPT
SCHEMBL747155 0.86 TP53 (0.38) MAPTKDM4EMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL747648 0.85 PARP1 (0.36) MAPT
SCHEMBL747122 0.85 TP53 (0.33) MAPT
Hydrochloric Acid SCHEMBL748268 0.85 TP53 (0.38) MAPTKDM4EMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL748492 0.85 TP53 (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed