SCHEMBL8972095

SCHEMBL8972095

C=CCCCCCCc1ccc(C(=O)Oc2ccc(CC(C)CC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.46
THRA P10827 8/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PLA2G1B P04054 5/20 0.38
ATG4B Q9Y4P1 5/20 0.38
ASAH2 Q9NR71 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9878652 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9877642 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9879324 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9877643 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9879327 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9878516 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9878647 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9878171 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9878177 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL9878523 0.87 SMN1; SMN2 (0.45) THRBKMT2AMAPTSMN1; SMN2CYP1A2

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
US-5560864-A Liquid crystalline material MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed