SCHEMBL6881685

SCHEMBL6881685

O=C([C]1CCCCCCC1)N1CCOCCOCCOCCOCCOCC1.[CH2].[CH2]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
PHGDH O43175 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL6870646 1.00 HTT (0.47) HTTLMNAHPGDSMN1; SMN2MEN1
SCHEMBL27487569 0.96 HTT (0.50) HTTLMNAHPGDSMN1; SMN2MEN1
SCHEMBL28693899 0.86 HPGD (0.53) HTTLMNAHPGDSMN1; SMN2MEN1
SCHEMBL28306573 0.79 HPGD (0.54) LMNAHPGDMEN1TP53KMT2A
SCHEMBL1826062 0.79 HPGD (0.54) LMNAHPGDMEN1TP53KMT2A
SCHEMBL2924871 0.72 CA2 (0.52) HPGDALDH1A1CA12CA1CA9
SCHEMBL16086852 0.72 HPGD (0.44) HTTLMNAHPGDSMN1; SMN2MEN1
SCHEMBL28306598 0.72 HPGD (0.50) LMNAHPGDMEN1TP53KMT2A
SCHEMBL28684147 0.69 HPGD (0.52) LMNAHPGDMEN1TP53KMT2A
SCHEMBL27774938 0.68 HRH3 (0.52)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824707-B2 MIXTURE CONTAINING DOPE CLARIANT INTERNATIONAL LTD. (CH) 2004-11-30 US disclosed
EP-1367114-A1 Active matrix liquid crystal device and smectic liquid crystal mixture Clariant International Ltd. (CH) 2003-12-03 EP disclosed
US-20030127627-A1 Active matrix liquid crystal device and smectic liquid crystal mixture CLARIANT INTERNATIONAL LTD. 2003-07-10 US disclosed