SCHEMBL4495229

SCHEMBL4495229

CCCCNC(=O)c1cc(C)c(C)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA3 P07451 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA5A P35218 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA13 Q8N1Q1 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
NAAA Q02083 2/20 0.49
NR5A2 O00482 1/20 0.49

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
SCHEMBL14811748 0.83 TSHR (0.71) TSHRHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL8388515 0.82 NAAA (0.61) TSHRHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL22647128 0.82 TSHR (0.53) TSHRHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL4598743 0.81 SMN1; SMN2 (0.68) TSHRHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL15434482 0.81 LMNA (0.44) HTTSMN1; SMN2HPGDALDH1A1L3MBTL1
SCHEMBL16690070 0.79 SMN1; SMN2 (0.68) TSHRHTTSMN1; SMN2L3MBTL1NAAA
SCHEMBL360641 0.79 HTT (0.57) TSHRHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL1420957 0.79 HTT (0.57) TSHRHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL27452028 0.79 HTT (0.57) TSHRHTTSMN1; SMN2HPGDALDH1A1
SCHEMBL4495227 0.79 ALDH1A1 (0.59) TSHRHTTSMN1; SMN2HPGDALDH1A1

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-2131431-A1 MEMBRANE-ELECTRODE BONDING AGENT, PROTON CONDUCTING MEMBRANE WITH BONDING LAYER, MEMBRANE-ELECTRODE ASSEMBLY, SOLID POLYMER FUEL CELL, AND METHOD FOR PRODUCING MEMBRANE-ELECTRODE ASSEMBLY Sekisui Chemical Co., Ltd. (JP) 2009-12-09 EP disclosed