SCHEMBL7597222

SCHEMBL7597222

CC(C)(C)c1ccc2c(c1)C(C1=[C]C(=C(c3ccccc3)c3ccccc3)C=C1)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
CASP3 P42574 2/20 0.34
RAB9A P51151 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
KCNK9 Q9NPC2 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7595586 0.82 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPC1CASP3RAB9A
SCHEMBL7592004 0.79 HTR2A (0.32)
Hydrochloric Acid SCHEMBL2354647 0.72 LMNA (0.33) LMNAALDH1A1L3MBTL1NPC1CASP3
SCHEMBL15458065 0.71 ALDH1A1 (0.46) LMNAALDH1A1L3MBTL1NPC1CASP3
SCHEMBL10455248 0.68 POLB (0.33)
SCHEMBL9943678 0.65 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPC1CASP3RAB9A
SCHEMBL30719677 0.65 DYRK1A (0.52) LMNAALDH1A1L3MBTL1NPC1CASP3
SCHEMBL30719679 0.65 ALDH1A1 (0.50) ALDH1A1L3MBTL1NPC1CASP3RAB9A
SCHEMBL13437566 0.65 ALDH1A1 (0.50) ALDH1A1L3MBTL1NPC1CASP3RAB9A
SCHEMBL15458052 0.63 ALDH1A1 (0.42) LMNAALDH1A1L3MBTL1NPC1CASP3

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
US-20020052446-A1 Composition based on monofluorometal complexes BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed