SCHEMBL29323709

SCHEMBL29323709

C=C(C)C(=O)OCCS(=O)(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CA2 P00918 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL27570709 0.81 NPC1 (0.47) NPC1RAB9ACA2ALDH1A1MAPT
SCHEMBL1130280 0.78 MAPT (0.47) CA2MAPTSMN1; SMN2TDP1LMNA
SCHEMBL9075962 0.75 MAPT (0.47) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL29323796 0.74 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9555297 0.74 KMT2A (0.48) CA2ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL432741 0.74 KMT2A (0.58) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8896484 0.74 ALDH1A1 (0.50) NPC1CA2ALDH1A1KMT2ALMNA
SCHEMBL11878300 0.74 ALDH1A1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL434364 0.72 LMNA (0.57) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL29323726 0.72 ALDH1A1 (0.41) CA2ALDH1A1MAPTSMN1; SMN2MEN1

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
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed