SCHEMBL9722380

SCHEMBL9722380

C=CC(=O)OCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OCCCCC)cn3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.54
LMNA P02545 3/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
THRB P10828 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.49
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL9722424 1.00 MAPT (0.57) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722192 1.00 MAPT (0.57) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722224 1.00 MAPT (0.57) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722457 1.00 MAPT (0.57) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722286 1.00 MAPT (0.57) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722430 0.99 MAPT (0.58) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722051 0.99 MAPT (0.58) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722347 0.99 MAPT (0.58) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722381 0.99 MAPT (0.58) MAPTSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9722448 0.99 MAPT (0.58) MAPTSMN1; SMN2NPC1LMNANFKB1

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