SCHEMBL20752138

SCHEMBL20752138

CC(C)N1C(=O)C(C)(C)Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.52
XIAP P98170 2/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CDYL Q9Y232 2/20 0.38
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
PRTN3 P24158 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
PTGER3 P43115 1/20 0.35
P2RX4 Q99571 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL15786402 0.80 SLC9A1 (0.58) SLC9A1ALDH1A1SMN1; SMN2ELANEPRTN3
SCHEMBL13091045 0.80 SLC9A1 (0.58) SLC9A1ALDH1A1SMN1; SMN2ELANEPRTN3
SCHEMBL13340980 0.78 SLC9A1 (0.57) SLC9A1ALDH1A1PTGER3PGR
SCHEMBL16362032 0.77 NISCH (0.52) ALDH1A1SMN1; SMN2NISCHELANECTSG
SCHEMBL15783472 0.76 SLC9A1 (0.55) SLC9A1ALDH1A1CYP2C9PGR
SCHEMBL17027045 0.73 ALPL (0.49) ALDH1A1NISCHELANECTSGPRTN3
SCHEMBL8029177 0.72 SLC9A1 (0.66) SLC9A1ALDH1A1SMN1; SMN2ELANECTSG
SCHEMBL8039159 0.72 SLC9A1 (0.66) SLC9A1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL14169864 0.72 XIAP (0.52) SLC9A1XIAPALDH1A1SMN1; SMN2NISCH
SCHEMBL3288905 0.71 SLC9A1 (0.47) SLC9A1PGR

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
EP-2928891-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed