SCHEMBL9176883

SCHEMBL9176883

CN(CCC(=O)OCC(=O)OCCOc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MTNR1A P48039 2/20 0.46
▸ MTNR1B P49286 2/20 0.46
▸ HTT P42858 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL10786207 0.85 SMN1; SMN2 (0.46) LTA4HRAB9ASMN1; SMN2NPC1MTNR1A
SCHEMBL14550164 0.83 TDP1 (0.49) LTA4HSMN1; SMN2MTNR1AMTNR1BTDP1
SCHEMBL11504573 0.82 TDP1 (0.47) LTA4HSMN1; SMN2TSHRMTNR1AMTNR1B
Propene SCHEMBL2401888 0.81 TDP1 (0.46) LTA4HSMN1; SMN2MTNR1AMTNR1BTHRB
SCHEMBL2400238 0.80 SMN1; SMN2 (0.47) LTA4HSMN1; SMN2MTNR1AMTNR1BTDP1
SCHEMBL12317724 0.80 MTNR1A (0.48) LTA4HSMN1; SMN2MTNR1AMTNR1BTDP1
SCHEMBL10526846 0.80 SMN1; SMN2 (0.53) LTA4HRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL909910 0.78 MAPT (0.54) RAB9ASMN1; SMN2NPC1TSHRL3MBTL1
SCHEMBL16330049 0.77 LTA4H (0.46) LTA4HSMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL10910843 0.77 LTA4H (0.47) LTA4HRAB9ASMN1; SMN2NPC1TSHR

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-5420254-A Monoazo dyes for textiles such as cellulose or polyesters SANDOZ LTD. (CH) 1995-05-30 — — US disclosed
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