SCHEMBL29036587

SCHEMBL29036587

COc1ccc(CNC(C(=O)O)C(C)(C)S)cc1.COc1ccc(CNC(C(=O)O)C(C)(C)S)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 1/20 0.44
ALDH1A1 P00352 2/20 0.44
FFAR1 O14842 1/20 0.44
CASR P41180 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7419905 1.00 LDHA (0.50) LDHANPC1RAB9AMEN1KMT2A
SCHEMBL9189408 1.00 LDHA (0.50) LDHANPC1RAB9AMEN1KMT2A
SCHEMBL28064619 1.00 LDHA (0.50) LDHANPC1RAB9AMEN1KMT2A
SCHEMBL29222561 0.95 ALDH1A1 (0.50) LDHANPC1RAB9AMEN1KMT2A
SCHEMBL14935886 0.84 SMN1; SMN2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14935963 0.84 SMN1; SMN2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27985500 0.84 SMN1; SMN2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29157273 0.83 RIPK1 (0.45) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29157275 0.83 RIPK1 (0.45) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6237220 0.80 LDHA (0.57) LDHANPC1RAB9AMEN1KMT2A

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
CN-112105627-B Unnatural base pair compositions and methods of use 斯克利普斯研究所 2024-07-02 CN disclosed
CN-116457034-A Nanomaterial and method of use thereof 康涅狄格大学 2023-07-18 CN disclosed