SCHEMBL30005739

SCHEMBL30005739

COC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1N(C)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.45
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.38
NAMPT P43490 2/20 0.38
HDAC1 Q13547 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL30004674 0.90 ALDH1A1 (0.46) KMT2AALDH1A1BRD9BAZ2BBAZ2A
SCHEMBL30006749 0.81 KMT2A (0.45) KMT2AALDH1A1L3MBTL1TSHRGAA
SCHEMBL1205921 0.81 TSHR (0.47) ALDH1A1L3MBTL1TSHRNAMPTHDAC1
SCHEMBL7930745 0.80 TSHR (0.46) ALDH1A1L3MBTL1TSHRNAMPTHDAC1
SCHEMBL30965061 0.80 TSHR (0.46) ALDH1A1L3MBTL1TSHRNAMPTHDAC1
SCHEMBL134817 0.77 ALDH1A1 (0.61) ALDH1A1CA1CA2L3MBTL1TSHR
SCHEMBL27434364 0.77 L3MBTL1 (0.44) ALDH1A1CA1CA2L3MBTL1TSHR
SCHEMBL6629351 0.77 ROCK2 (0.46) L3MBTL1TSHRNAMPTGAA
SCHEMBL14969490 0.77 TSHR (0.57) ALDH1A1L3MBTL1TSHRNAMPTGAA
SCHEMBL30005644 0.77 KMT2A (0.45) KMT2AALDH1A1L3MBTL1TSHRHDAC1

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed