SCHEMBL4035391

SCHEMBL4035391

COc1cc(C=O)c(-c2cc(-c3nccs3)ccc2C(O)CO)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 2/20 0.38
SMPD3 Q9NY59 1/20 0.38
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 3/20 0.36
TUBA1A Q71U36 3/20 0.36
TUBA1C Q9BQE3 3/20 0.36
TUBB6 Q9BUF5 3/20 0.36
TUBB2B Q9BVA1 3/20 0.36
TUBB1 Q9H4B7 3/20 0.36
LMNA P02545 1/20 0.34
PPARD Q03181 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
SCHEMBL4034089 0.83 SMPD3 (0.46) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL4034301 0.82 GABRA1 (0.41) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL4042546 0.82 MAPT (0.43) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL4034103 0.82 SMPD3 (0.40) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL15225671 0.80 SMPD3 (0.40) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL4040171 0.80 TUBB4A (0.41) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL4039716 0.79 ERN1 (0.43) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL4042076 0.79 MAPT (0.39) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL4039376 0.77 PTGDR2 (0.40) PTGDR2MAPTSMPD3TUBB4ATUBB
SCHEMBL4036344 0.77 SMPD3 (0.41) PTGDR2MAPTSMPD3TUBB4ATUBB

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-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP claimed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO claimed