SCHEMBL8891565

SCHEMBL8891565

CCOC(=O)C=CC(CC#N)(c1ccccc1)c1ccccc1.N#CCC(C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.38
MDM2 Q00987 2/20 0.38
MDM4 O15151 1/20 0.38
ALDH1A1 P00352 4/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL8891559 1.00 MAPT (0.39) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL7826308 0.95 MAPT (0.42) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL7826311 0.95 MAPT (0.42) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL7824380 0.82 MEN1 (0.42) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL7824378 0.82 MEN1 (0.42) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL7827129 0.78 ATM (0.34) MAPTALDH1A1CYP3A4
SCHEMBL27379002 0.77 ALDH1A1 (0.38) MAPTLMNAALDH1A1HCAR2CA1
SCHEMBL8481696 0.72 MAPT (0.47) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL2003282 0.72 MAPT (0.48) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL2003283 0.72 MAPT (0.48) MAPTLMNAMDM2MDM4ALDH1A1

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
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed