SCHEMBL4332257

SCHEMBL4332257

C=CC(=O)OCCCCCCOc1ccc(C(=O)O)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OCCCCCCCCCOc3ccc(-c4ncc(CCCCCCCCC)cn4)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.58
▸ MAPT P10636 6/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ PLA2G4B P0C869 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL16425791 0.95 MAPT (0.53) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL4332253 0.87 MAPT (0.46) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL13927210 0.86 THRB (0.60) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL16425801 0.86 THRB (0.60) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9996704 0.86 THRB (0.60) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10018716 0.86 THRB (0.60) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL16425815 0.85 NPC1 (0.57) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9817443 0.85 RARB (0.64) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL11193052 0.85 RARB (0.64) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9722325 0.85 MAPT (0.68) MAPTSMN1; SMN2MEN1ALDH1A1HPGD

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-1169293-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2009-07-22 — — EP disclosed
US-6733690-B1 ACRYLIC ESTER POLYMERS ROLIC AG (CH) 2004-05-11 — — US disclosed
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