SCHEMBL9015711

SCHEMBL9015711

CCCCC(CCC)COOC(=O)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
EGFR P00533 1/20 0.43
HDAC3 O15379 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.41
CA2 P00918 1/20 0.41
CYP3A4 P08684 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
BCHE P06276 2/20 0.39
MAPK1 P28482 1/20 0.39
GLA P06280 1/20 0.39
ACHE P22303 1/20 0.38
MMP1 P03956 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28886383 0.93 TDP1 (0.59) TDP1EGFRHDAC3LMNAALDH1A1
SCHEMBL119066 0.89 TDP1 (0.55) TDP1EGFRHDAC3LMNAALDH1A1
SCHEMBL28378630 0.84 TDP1 (0.67) TDP1EGFRHDAC3LMNAALDH1A1
SCHEMBL5667176 0.84 TDP1 (0.52) TDP1EGFRHDAC3LMNAALDH1A1
SCHEMBL5667169 0.84 TDP1 (0.52) TDP1EGFRHDAC3LMNAALDH1A1
SCHEMBL23702410 0.80 BCHE (0.50) TDP1EGFRHDAC3LMNAAKR1B10
SCHEMBL23702408 0.80 BCHE (0.50) TDP1EGFRHDAC3LMNAAKR1B10
SCHEMBL483427 0.80 TDP1 (0.76) TDP1EGFRHDAC3LMNAALDH1A1
SCHEMBL483426 0.80 TDP1 (0.76) TDP1EGFRHDAC3LMNAALDH1A1
SCHEMBL28188071 0.79 TDP1 (0.74) TDP1EGFRHDAC3LMNAALDH1A1

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-5589165-A CONTAINING AN ORGANOFLUORINATED MODIFIED SILICONE RESIN SHISEIDO CO., LTD. (JP) 1996-12-31 US disclosed