SCHEMBL9879898

SCHEMBL9879898

COc1cc(C(=O)CCC2CC(c3ccc(Cl)cc3)=CCN2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38
TUBA1A Q71U36 3/20 0.38
TUBA1C Q9BQE3 3/20 0.38
TUBB6 Q9BUF5 3/20 0.38
TUBB2B Q9BVA1 3/20 0.38
TUBB1 Q9H4B7 3/20 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
Hydrochloric Acid SCHEMBL9874843 0.83 SIGMAR1 (0.45) SIGMAR1KMT2AMEN1
SCHEMBL9879899 0.71 SIGMAR1 (0.81) SIGMAR1ALDH1A1HTTTAAR1
SCHEMBL9828028 0.66 MEN1 (0.62) MAPTL3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL9284598 0.64 ALDH1A1 (0.55) MAPTLMNAL3MBTL1TUBB4ATUBB
SCHEMBL9532694 0.63 SLC6A2 (0.37) SIGMAR1LMNA
SCHEMBL2925144 0.63 CCNT1 (0.41) MAPTKMT2AMEN1ALDH1A1
SCHEMBL2925142 0.63 CCNT1 (0.41) MAPTKMT2AMEN1ALDH1A1
SCHEMBL3137049 0.63 THRA (0.56) MAPTLMNATHRBL3MBTL1TUBB4A
SCHEMBL10789209 0.63 ALDH1A1 (0.57) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7837299 0.63 ALDH1A1 (0.61) LMNAL3MBTL1TUBB4ATUBBTUBA3C

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
WO-1991008200-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS AS ACTIVE AGENTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 1991-06-13 WO claimed