SCHEMBL29995367

SCHEMBL29995367

O=C(COc1ccc(C23CC4CC(CC(C(=O)NCc5ccco5)(C4)C2)C3)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.65
EPAS1 Q99814 5/20 0.65
TSHR P16473 5/20 0.54
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
LMNA P02545 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
SCHEMBL17075561 0.83 HIF1A (0.56) HIF1AEPAS1TSHRTP53SMN1; SMN2
SCHEMBL23673967 0.80 HIF1A (0.72) HIF1AEPAS1TSHRCYP3A4
SCHEMBL4293719 0.80 HIF1A (1.00) HIF1AEPAS1KMT2AHCAR2LMNA
SCHEMBL23673934 0.78 TSHR (0.56) HIF1AEPAS1TSHRPOLBKMT2A
SCHEMBL14829020 0.77 HIF1A (0.72) HIF1AEPAS1TSHRPOLBKMT2A
SCHEMBL23673936 0.76 HIF1A (0.64) HIF1AEPAS1SMN1; SMN2CYP3A4KMT2A
SCHEMBL23673944 0.75 HIF1A (0.70) HIF1AEPAS1CYP3A4
SCHEMBL4299480 0.74 HIF1A (1.00) HIF1AEPAS1TP53SMN1; SMN2
SCHEMBL13576938 0.72 HIF1A (1.00) HIF1AEPAS1POLB
SCHEMBL23673940 0.71 HIF1A (0.70) HIF1AEPAS1CYP3A4LMNA

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-4098647-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT Onecuregen Co., Ltd. (KR) 2022-12-07 EP disclosed