SCHEMBL23901506

SCHEMBL23901506

CN[C@@H](Cc1ccc(O)c(I)c1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.66
ALB P02768 8/20 0.54
IL2 P60568 8/20 0.54
TNF P01375 1/20 0.50
THRB P10828 4/20 0.44
THRA P10827 3/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
ABCB11 O95342 1/20 0.44
F2 P00734 1/20 0.44
PCNA P12004 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL20299945 1.00 FOLH1 (0.66) FOLH1ALBIL2TNFTHRB
SCHEMBL13227745 0.88 FOLH1 (0.55) FOLH1ALBIL2TNFTHRB
SCHEMBL14151451 0.86 FOLH1 (0.64) FOLH1ALBIL2TNFTHRB
SCHEMBL8470026 0.86 KDM6B (0.60) FOLH1LMNACYP2D6TSHRMEN1
SCHEMBL34002 0.86 KDM6B (0.60) FOLH1LMNACYP2D6TSHRMEN1
SCHEMBL2283369 0.86 KDM6B (0.60) FOLH1LMNACYP2D6TSHRMEN1
SCHEMBL468853 0.85 FOLH1 (0.70) FOLH1ALBIL2TNFTHRB
SCHEMBL468855 0.85 FOLH1 (0.70) FOLH1ALBIL2TNFTHRB
SCHEMBL25453257 0.85 FOLH1 (0.67) FOLH1ALBIL2TNFTHRB
Hydrochloric Acid SCHEMBL523205 0.84 KDM6B (0.58) FOLH1LMNACYP2D6TSHRMEN1

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
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed