SCHEMBL3725910

SCHEMBL3725910

CC(=O)NC(Cc1cc(I)c(O)c(I)c1)C(=O)O.CC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.66
ALB P02768 8/20 0.55
IL2 P60568 8/20 0.55
TNF P01375 1/20 0.51
LMNA P02545 3/20 0.47
THRB P10828 3/20 0.45
PPARG P37231 2/20 0.45
THRA P10827 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
AGTR2 P50052 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
ABCB11 O95342 1/20 0.45
F2 P00734 1/20 0.45
PCNA P12004 1/20 0.45
GABRA1 P14867 1/20 0.45

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
SCHEMBL3725913 1.00 FOLH1 (0.66) FOLH1ALBIL2TNFLMNA
SCHEMBL468853 0.96 FOLH1 (0.70) FOLH1ALBIL2TNFLMNA
SCHEMBL468855 0.96 FOLH1 (0.70) FOLH1ALBIL2TNFLMNA
SCHEMBL468886 0.90 SIRT5 (0.52) FOLH1ALBIL2LMNATHRB
SCHEMBL468888 0.90 SIRT5 (0.52) FOLH1ALBIL2LMNATHRB
SCHEMBL8200137 0.89 FOLH1 (0.59) FOLH1ALBIL2TNFLMNA
SCHEMBL9787629 0.83 MME (0.60) FOLH1LMNAPPARGMEN1KMT2A
SCHEMBL29367167 0.83 MME (0.60) FOLH1LMNAPPARGMEN1KMT2A
SCHEMBL468823 0.83 MME (0.60) FOLH1LMNAPPARGMEN1KMT2A
SCHEMBL328475 0.83 MME (0.60) FOLH1LMNAPPARGMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41278-E1 N-acetyl aldosamines and related N-acetyl compounds, and their topical use TRISTRATA, INC. 2010-04-27 US claimed
US-6524593-B1 Alleviate or improve various cosmetic conditions and dermatological disorders, skin, hair, nails TRISTRATA, INC. 2003-02-25 US claimed