SCHEMBL9838293

SCHEMBL9838293

O=C(O)C=CC(=O)Nc1cccc(I)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.77
LPAR1 Q92633 2/20 0.77
CREBBP Q92793 1/20 0.65
ALDH1A1 P00352 6/20 0.63
MAPT P10636 5/20 0.63
LPAR3 Q9UBY5 3/20 0.63
PARP1 P09874 2/20 0.63
PARP15 Q460N3 2/20 0.63
PARP14 Q460N5 2/20 0.63
PARP10 Q53GL7 2/20 0.63
TRPV1 Q8NER1 1/20 0.54
KDM4E B2RXH2 4/20 0.54
THRB P10828 2/20 0.54
PKM P14618 1/20 0.54
TDP2 O95551 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NMT1 P30419 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL9838285 1.00 LPAR2 (0.77) LPAR2LPAR1CREBBPALDH1A1MAPT
SCHEMBL441804 0.88 LPAR2 (1.00) LPAR2LPAR1CREBBPALDH1A1MAPT
SCHEMBL441805 0.88 LPAR2 (1.00) LPAR2LPAR1CREBBPALDH1A1MAPT
SCHEMBL1552033 0.88 LPAR2 (1.00) LPAR2LPAR1CREBBPALDH1A1MAPT
Iodide SCHEMBL1552156 0.86 LPAR2 (0.96) LPAR2LPAR1CREBBPALDH1A1MAPT
SCHEMBL18486004 0.83 MMP1 (0.71) MAPTTRPV1KMT2AMEN1SMN1; SMN2
SCHEMBL17179659 0.83 MMP1 (0.71) MAPTTRPV1KMT2AMEN1SMN1; SMN2
SCHEMBL11758320 0.82 LPAR2 (0.59) LPAR2LPAR1CREBBPALDH1A1MAPT
SCHEMBL6545766 0.81 LPAR2 (0.80) LPAR2LPAR1CREBBPALDH1A1MAPT
SCHEMBL7457467 0.81 LPAR2 (0.80) LPAR2LPAR1CREBBPALDH1A1MAPT

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-4994557-A Radiohalogenated half-antibodies and maleimide intermediate therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-02-19 US disclosed