SCHEMBL8043737

SCHEMBL8043737

O=C(O)C1C2CCC(C2)N1S(=O)(=O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 20/20 0.42

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
SCHEMBL8043736 1.00 SMYD3 (0.42) SMYD3
SCHEMBL8044025 0.82 SMYD3 (0.38) SMYD3
SCHEMBL8044030 0.82 SMYD3 (0.38) SMYD3
SCHEMBL30812423 0.79 EPHX2 (0.35)
SCHEMBL7496968 0.76 MEN1 (0.34)
SCHEMBL7417543 0.73 MEN1 (0.33)
SCHEMBL8048468 0.71 HPGD (0.41) SMYD3
SCHEMBL30147123 0.66 EPHX2 (0.38)
SCHEMBL6963805 0.65 ALDH1A1 (0.46)
Bicarbonate SCHEMBL15225846 0.64 TSHR (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121280-A Azabicyclic rotomase inhibitors PFIZER INC. (US) 2000-09-19 US disclosed
EP-0947506-A1 2-Aza-bicyclo[2.2.1]heptane derivatives and their use as rotamase inhibitors Pfizer Products Inc. (US) 1999-10-06 EP disclosed