SCHEMBL27925979

SCHEMBL27925979

CCCCCO[C](C)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.42
EPHX2 P34913 2/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CES2 O00748 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL2700536 0.86 ALDH1A1 (0.37) NAAAALDH1A1CYP1A2CES2EPHX1
SCHEMBL2249573 0.79 EPHX2 (0.50) NAAAEPHX2ALDH1A1EPHX1
SCHEMBL3294299 0.78 EPHX2 (0.49) NAAAEPHX2ALDH1A1
SCHEMBL5710073 0.78 NAAA (0.51) NAAAEPHX2ALDH1A1EPHX1
SCHEMBL21569213 0.78 NAAA (0.51) NAAAEPHX2ALDH1A1EPHX1
SCHEMBL6049453 0.78 NAAA (0.51) NAAAEPHX2ALDH1A1EPHX1
SCHEMBL7561339 0.78 TSHR (0.44) NAAAEPHX2CA12CA1CA2
SCHEMBL30977763 0.78 NAAA (0.51) NAAAEPHX2ALDH1A1EPHX1
SCHEMBL26846117 0.78 NAAA (0.51) NAAAEPHX2ALDH1A1EPHX1
SCHEMBL2059827 0.78 NAAA (0.51) NAAAEPHX2ALDH1A1EPHX1

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
CN-102796058-B Compound having thrombopoietin receptor agonism SHIONOGI & CO 2015-05-13 CN disclosed
CN-103130739-A Compounds having thrombopoietin receptor agonism SHIONOGI & CO 2013-06-05 CN disclosed