SCHEMBL24201501

SCHEMBL24201501

CCCC(=O)N1Cc2ccccc2CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.67
TSHR P16473 2/20 0.58
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NOTUM Q6P988 4/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL29311982 0.92 HSD17B3 (0.60) HSD17B3TSHRMAPTMEN1KMT2A
SCHEMBL22102183 0.88 HSD17B3 (0.71) HSD17B3TSHRMAPTMEN1KMT2A
SCHEMBL19404981 0.86 HSD17B3 (0.64) HSD17B3TSHRMAPTMEN1KMT2A
SCHEMBL16220559 0.84 TSHR (0.81) TSHRMAPTMEN1KMT2ANOTUM
SCHEMBL31222353 0.84 TSHR (0.81) TSHRMAPTMEN1KMT2ANOTUM
SCHEMBL24385889 0.84 HSD17B3 (0.61) HSD17B3TSHRMAPTMEN1KMT2A
SCHEMBL19014017 0.84 HSD17B3 (0.60) HSD17B3TSHRMAPTMEN1KMT2A
SCHEMBL27273811 0.83 HSD17B3 (0.60) HSD17B3TSHRMAPTMEN1KMT2A
SCHEMBL25124359 0.82 HSD17B3 (0.59) HSD17B3TSHRMAPTMEN1KMT2A
SCHEMBL29522633 0.82 TSHR (0.67) TSHRMAPTMEN1KMT2ANOTUM

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
EP-3940000-A1 CARRAGEENAN DERIVATIVE, PROBE FOR LABELLING MACROPHAGES, AND METHOD FOR PREPARING SAME Korea University Research and Business Foundation (KR) 2022-01-19 EP disclosed