SCHEMBL7955109

SCHEMBL7955109

C[C](C)CCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.56
AOC3 Q16853 1/20 0.50
MAOB P27338 1/20 0.45
MPO P05164 3/20 0.44
IDO1 P14902 2/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
ACKR3 P25106 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
DAO P14920 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9220937 0.83 IAPP (0.55) TAAR1AOC3MAOBMPOCASP3
SCHEMBL31182394 0.83 TAAR1 (0.52) TAAR1AOC3MAOBMPOIDO1
Acetic Acid SCHEMBL29114584 0.80 MEN1 (0.54) TAAR1MAOBACKR3MEN1ALDH1A1
SCHEMBL7331602 0.78 TAAR1 (0.56) TAAR1AOC3MAOBMPOCASP3
SCHEMBL8526001 0.78 TAAR1 (0.75) TAAR1AOC3MAOBMPOIDO1
SCHEMBL435759 0.77 TAAR1 (0.48) TAAR1AOC3MAOBIDO1ALDH1A1
SCHEMBL6964948 0.77 TAAR1 (0.54) TAAR1AOC3MAOBMPOCASP3
SCHEMBL29444401 0.77 MEN1 (0.59) TAAR1CASP3CASP7MEN1ALDH1A1
SCHEMBL246473 0.77 MEN1 (0.59) TAAR1CASP3CASP7MEN1ALDH1A1
SCHEMBL6601966 0.76 TAAR1 (0.48) TAAR1AOC3MAOBMPOCASP3

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-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US disclosed