SCHEMBL7240271

SCHEMBL7240271

CCC(C)(C)c1cccc(OCC(=O)Cl)c1C(C)(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
VDR P11473 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ELANE P08246 1/20 0.33
GAA P10253 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL10916653 0.87 L3MBTL1 (0.51) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL8132532 0.87 ALDH1A1 (0.47) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL10582796 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL8027364 0.77 PPARG (0.36) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL7898212 0.75 NPSR1 (0.57) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL4804002 0.74 MAPK1 (0.71) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL28536179 0.74 ATM (0.40) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL2891600 0.74 INPPL1 (0.46) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL28542859 0.73 THRB (0.45) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL2046228 0.73 L3MBTL1 (0.60) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1

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-6630496-B1 Antiinflammatory agents inhibit phospholipase 2, affecting both protaglandin and leukotriene production; indoles substituted in 2 position by 2,4-dioxo-thiazol-3-yl methylidene GENETICS INSTITUTE LLC 2003-10-07 US disclosed