SCHEMBL8803045

SCHEMBL8803045

CCCc1cc(C(O)C(=O)O)c(SC)c2[nH]c3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 2/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL8389032 0.81 PPARG (0.42) MAPTSMN1; SMN2PPARGTUBB4ATUBB
SCHEMBL8391029 0.79 KDM4E (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL9055605 0.78 KDM4E (0.35) MAPTSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL8387332 0.78 MAPT (0.41) MAPTSMN1; SMN2PPARGTUBB4ATUBB
SCHEMBL8801465 0.77 SLC22A6 (0.40) MAPTSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL9055602 0.75 GABRP (0.35) MAPTSMN1; SMN2PPARGTUBB4ATUBB
SCHEMBL8387354 0.73 MAPT (0.41) MAPTSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL8391076 0.72 MAPT (0.39) MAPTSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL9056363 0.69 MAPT (0.38) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL8390363 0.68 MAPT (0.47) MAPTSMN1; SMN2TUBB4ATUBBTUBA3C

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-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed