SCHEMBL8638824

SCHEMBL8638824

CC(C)C(C)COS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL4755954 0.79 ALDH1A1 (0.42) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL9637660 0.79 ALDH1A1 (0.42) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL4755958 0.79 ALDH1A1 (0.42) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL15607872 0.78 CA1 (0.38) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL5990289 0.78 CA1 (0.59) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL776575 0.78
SCHEMBL3395529 0.77 ALDH1A1 (0.38) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL7621803 0.75 CA1 (0.39) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL20523058 0.75 ALDH1A1 (0.34) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL20528067 0.75 ALDH1A1 (0.34) ALDH1A1USP2TSHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014074-A1 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed