SCHEMBL96865

SCHEMBL96865

CCC(C)(C(=O)c1ccccc1SC)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 3/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29686523 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL218736 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL8901445 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL96864 0.77 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL9679488 0.75 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1POLB
SCHEMBL9793482 0.74 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL28392317 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL50851 0.73 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL9679943 0.71 GSK3B (0.51) ALDH1A1SMN1; SMN2TSHRMAPK1POLB
SCHEMBL9681172 0.71 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1POLB

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
EP-2426162-B1 ENERGY-RAY-CURABLE ELASTOMER COMPOSITION, MATERIAL FOR GASKET, GASKET, AND HARD DISK DEVICE BRIDGESTONE CORP (JP) 2017-09-27 EP disclosed
EP-2426162-A1 ENERGY-RAY-CURABLE ELASTOMER COMPOSITION, MATERIAL FOR GASKET, GASKET, AND HARD DISK DEVICE Bridgestone Corporation (JP) 2012-03-07 EP disclosed