SCHEMBL748563

SCHEMBL748563

CC(C)(C)c1ccc(CN(CCc2c(Cl)cccc2Cl)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.39
SLC13A5 Q86YT5 1/20 0.35
RAF1 P04049 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
ESRRG P62508 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
C5AR1 P21730 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ESRRB O95718 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL747114 0.90 C5AR1 (0.41) MBTPS1SLC13A5PSEN1PSEN2APH1B
SCHEMBL745501 0.90 TMEM97 (0.39) SLC13A5TP53KMT2AESRRGOPRM1
Hydrochloric Acid SCHEMBL752637 0.89 TMEM97 (0.38) SLC13A5TP53KMT2AESRRGOPRM1
SCHEMBL745473 0.88 KMT2A (0.44) SLC13A5MAPTKMT2AESRRGOPRM1
SCHEMBL748523 0.88 LPAR1 (0.38) MBTPS1SLC13A5PSEN1PSEN2APH1B
SCHEMBL749603 0.88 TMEM97 (0.39) SLC13A5PSEN1PSEN2APH1BNCSTN
SCHEMBL748461 0.87 ESRRG (0.46) SLC13A5TP53MAPTKMT2AESRRG
SCHEMBL747130 0.86 SLC13A5 (0.37) SLC13A5TP53MAPTKMT2AESRRG
SCHEMBL746610 0.86 TP53 (0.42) SLC13A5TP53MAPTKMT2AESRRG
SCHEMBL746739 0.85 SRC (0.37) MBTPS1SLC13A5PSEN1PSEN2APH1B

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