SCHEMBL9722206

SCHEMBL9722206

C=CC(=O)OCCCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OCC)cn3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
THRB P10828 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 1/20 0.49
KMT2A Q03164 5/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL9722186 1.00 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722476 1.00 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722412 1.00 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722429 1.00 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722346 1.00 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722381 0.95 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722430 0.95 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722051 0.95 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722347 0.95 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL9722448 0.95 MAPT (0.58) MAPTTHRBSMN1; SMN2TP53KMT2A

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-5164111-A Polymerizable liquid-crystal material and polymers exhibiting liquid-crystal phases MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-17 US disclosed