SCHEMBL28692860

SCHEMBL28692860

CCCCOC(=O)c1ccc2c3c(NC(C)=O)cc(C(=O)O)c4c(C(=O)O)ccc(c5c([N+](=O)[O-])cc(C(=O)O)c1c25)c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ GALR2 O43603 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ CCR6 P51684 1/20 0.47
▸ KMT2A Q03164 3/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ RECQL P46063 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL28692862 0.98 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HPGDNPSR1
SCHEMBL30819113 0.98 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HPGDNPSR1
SCHEMBL28645727 0.77 CDK2 (0.43) LMNAALDH1A1NPSR1AKR1C3AKR1C2
SCHEMBL28656884 0.77 TSHR (0.44) LMNAALDH1A1NPSR1AKR1C3AKR1C2
SCHEMBL28656882 0.77 TSHR (0.44) LMNAALDH1A1NPSR1AKR1C3AKR1C2
SCHEMBL9793670 0.74 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1HPGDNPSR1
SCHEMBL10463588 0.74 CDK2 (0.48) SMN1; SMN2LMNAALDH1A1KMT2ATDP1
SCHEMBL16516492 0.73 TSHR (0.57) SMN1; SMN2LMNAALDH1A1POLBKMT2A
SCHEMBL28778181 0.73 TSHR (0.57) SMN1; SMN2LMNAALDH1A1POLBKMT2A
SCHEMBL28778191 0.72 TSHR (0.50) LMNAALDH1A1POLBTDP1L3MBTL1

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
CN-113899797-A Electrochemical probe for detecting fluorine ions 山东建筑大学 2022-01-07 — — CN disclosed
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