SCHEMBL25124359

SCHEMBL25124359

O=CCCC(=O)N1Cc2ccccc2CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.59
TSHR P16473 2/20 0.55
NOTUM Q6P988 4/20 0.54
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MITF O75030 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL19404981 0.84 HSD17B3 (0.64) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL24201501 0.82 HSD17B3 (0.67) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL19014017 0.81 HSD17B3 (0.60) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL23476592 0.80 TSHR (0.41) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL22102183 0.79 HSD17B3 (0.71) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL24385889 0.79 HSD17B3 (0.61) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL24386318 0.79 MAPT (0.58) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL29311982 0.78 HSD17B3 (0.60) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL27273811 0.78 HSD17B3 (0.60) HSD17B3TSHRNOTUMMAPTMEN1
SCHEMBL19287152 0.77 MAPT (0.78) TSHRNOTUMMAPTMEN1KMT2A

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-2023047090-A1 ANTIBODY-DRUG CONJUGATES SPIREA LIMITED (GB) 2023-03-30 WO disclosed