SCHEMBL8699080

SCHEMBL8699080

O=C(C1CCc2ccccc2C1)N1CCCCC1CCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.47
CYP19A1 P11511 4/20 0.47
PKM P14618 1/20 0.46
F2 P00734 1/20 0.41
ENPP2 Q13822 1/20 0.39
TP53 P04637 2/20 0.39
PREP P48147 5/20 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
SCHEMBL8540280 0.82 TBXAS1 (0.46) TBXAS1CYP19A1F2ENPP2PREP
SCHEMBL8696892 0.78 CYP19A1 (0.48) TBXAS1CYP19A1PKMPREP
SCHEMBL8699553 0.77 PKM (0.52) TBXAS1CYP19A1PKM
SCHEMBL8545595 0.76 PKM (0.59) TBXAS1PKM
Hydrochloric Acid SCHEMBL8540290 0.75 PKM (0.59) TBXAS1PKM
SCHEMBL8699079 0.75 F2 (0.40) F2PREP
SCHEMBL8701243 0.74 NPC1 (0.62) TBXAS1PKM
SCHEMBL8699085 0.73 PKM (0.49) TBXAS1CYP19A1PKMTP53
SCHEMBL7296025 0.72 F2 (0.55) F2PREP
SCHEMBL6171266 0.71 PKM (0.45) TBXAS1CYP19A1PKMTP53

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-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed