SCHEMBL6558474

SCHEMBL6558474

COC(=O)NCc1cc(C#CC(C)(C)O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
PYGL P06737 1/20 0.36
EGFR P00533 1/20 0.35
ACACB O00763 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL6557218 0.91 TSHR (0.47) TSHRHTTMAPTSMN1; SMN2PYGL
SCHEMBL6557397 0.90 TSHR (0.46) TSHRHTTMAPTSMN1; SMN2PYGL
SCHEMBL6557419 0.89 TSHR (0.45) TSHRHTTMAPTSMN1; SMN2PYGL
SCHEMBL752442 0.81 TSHR (0.47) TSHRMAPTSMN1; SMN2PYGLACACB
SCHEMBL753192 0.80 TSHR (0.51) TSHRHTTMAPTSMN1; SMN2KMT2A
SCHEMBL6557549 0.77 HTT (0.46) TSHRHTTSMN1; SMN2KMT2AROCK2
SCHEMBL14966518 0.76 LMNA (0.44) TSHRHTTLMNAL3MBTL1MAPT
SCHEMBL4624413 0.72 TSHR (0.55) TSHRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL754896 0.72 TSHR (0.55) TSHRHTTLMNAMAPTSMN1; SMN2
SCHEMBL1759206 0.72 TSHR (0.55) TSHRHTTLMNAMAPTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085010-B1 PHENYLACETYLENE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2004-03-10 EP disclosed
US-6313071-B1 Phenylacetylene derivatives and agricultural/horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-11-06 US disclosed
EP-1085010-A1 PHENYLACETYLENE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-03-21 EP disclosed