SCHEMBL30184136

SCHEMBL30184136

CONC(=O)c1cccc(OC(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
KAT6A Q92794 2/20 0.56
ALOX12 P18054 1/20 0.56
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51

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
SCHEMBL30184362 0.85 RAB9A (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4331173 0.85 RAB9A (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8387420 0.83 MEN1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL19605409 0.83 HDAC8 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6174966 0.81 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8803613 0.80 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL201086 0.80 PARP1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL23957836 0.79 KAT6A (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30184164 0.79 HPGD (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13702279 0.79 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 CN disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
CN-116870016-A Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2023-10-13 CN disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科(深圳)有限公司 2023-03-14 CN disclosed