SCHEMBL9061738

SCHEMBL9061738

C=COCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC=C)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ NFKB1 P19838 3/20 0.55
▸ NFKB2 Q00653 3/20 0.55
▸ RELA Q04206 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ PRSS1 P07477 2/20 0.52
▸ ACR P10323 1/20 0.52
▸ GAA P10253 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 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
SCHEMBL23818249 0.98 LMNA (0.54) LMNANPC1NFKB1NFKB2RELA
SCHEMBL16772395 0.93 LMNA (0.63) LMNANPC1NFKB1NFKB2RELA
SCHEMBL6510953 0.91 MAPT (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL4348938 0.88 GAA (0.44) LMNANPC1NFKB1NFKB2RELA
SCHEMBL12926236 0.87 MAPT (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL7660791 0.87 THRB (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL7572221 0.85 ESR1 (0.42) LMNANPC1NFKB1NFKB2RELA
SCHEMBL7573082 0.85 ESR1 (0.42) LMNANPC1NFKB1NFKB2RELA
SCHEMBL7573334 0.85 ESR1 (0.48) LMNANPC1NFKB1NFKB2RELA
SCHEMBL7574157 0.85 ESR1 (0.48) LMNANPC1NFKB1NFKB2RELA

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-0749466-A1 NOVEL POLYMERISABLE LIQUID-CRYSTALLINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-12-27 — — EP disclosed
WO-1995024454-A1 NOVEL POLYMERISABLE LIQUID-CRYSTALLINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1995-09-14 — — WO disclosed
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