SCHEMBL8191128

SCHEMBL8191128

CCCc1cc(N)ccc1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
CYP1A2 P05177 2/20 0.51
MAOA P21397 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 5/20 0.49
GAA P10253 5/20 0.49
MAPT P10636 3/20 0.49
ALOX15 P16050 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 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
SCHEMBL9307300 0.91 LMNA (0.49) LMNACYP1A2MAOACYP3A4ALDH1A1
SCHEMBL11784914 0.89 LMNA (0.56) LMNACYP1A2MAOACYP3A4ALDH1A1
SCHEMBL8117430 0.87 CYP4F2 (0.48) LMNACYP1A2MAOACYP3A4ALDH1A1
SCHEMBL10082826 0.86 LMNA (0.53) LMNACYP1A2MAOACYP3A4ALDH1A1
SCHEMBL14547866 0.86 GAA (0.58) LMNACYP1A2MAOAALDH1A1HSD17B10
SCHEMBL10982129 0.85 ALDH1A1 (0.51) LMNACYP1A2MAOACYP3A4ALDH1A1
SCHEMBL9357034 0.85 ALDH1A1 (0.48) LMNACYP1A2MAOACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL4722723 0.84 GAA (0.57) LMNACYP1A2MAOAALDH1A1HSD17B10
SCHEMBL14465366 0.84 LMNA (0.51) LMNACYP1A2MAOACYP3A4ALDH1A1
SCHEMBL15835741 0.83 LMNA (0.50) LMNACYP1A2MAOACYP3A4ALDH1A1

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
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN claimed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN disclosed
US-6165980-A Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-12-26 US disclosed