SCHEMBL7595586

SCHEMBL7595586

CC(C)=C1[C]=C(C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)C=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 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
SCHEMBL7597222 0.82 LMNA (0.34) ALDH1A1MAPTTDP1NPC1PLA2G1B
SCHEMBL9943678 0.70 ALDH1A1 (0.33) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL30719677 0.69 DYRK1A (0.52) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL15458052 0.68 ALDH1A1 (0.42) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL15458065 0.66 ALDH1A1 (0.46) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL16271971 0.66 ALDH1A1 (0.42) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL1538379 0.66 ALDH1A1 (0.44) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL9754019 0.66 ALDH1A1 (0.44) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL30438243 0.66 ALDH1A1 (0.44) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL250085 0.65 ALDH1A1 (0.42) ALDH1A1MEN1GAAMAPTPKM

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