SCHEMBL29324089

SCHEMBL29324089

CCC(C)(C)C(=O)OCCOc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
NR5A1 Q13285 1/20 0.47
CHRM2 P08172 2/20 0.43
ESR1 P03372 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
BCHE P06276 1/20 0.41
ELANE P08246 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL13683046 0.90 CHRM2 (0.41) LTA4HNR5A1CHRM2ESR1ABCG2
SCHEMBL16994292 0.87 PPARA (0.41) CHRM2ESR1MAPK1MEN1KMT2A
SCHEMBL116844 0.86 THRB (0.51) LMNATSHRMAPK1SMN1; SMN2MEN1
SCHEMBL12793181 0.84 HDAC1 (0.50) LMNASMN1; SMN2
SCHEMBL14015406 0.84 PTPRC (0.49) LMNATSHRMAPK1POLB
SCHEMBL11991306 0.84 POLB (0.41) LMNATSHRMAPK1POLBMEN1
SCHEMBL2742155 0.83 NPC1 (0.49) CHRM2ESR1LMNATSHRSMN1; SMN2
SCHEMBL12716906 0.82 CHRNB2 (0.48) SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13431266 0.82 MAPT (0.43) TSHRPOLB
SCHEMBL17032003 0.82 MEN1 (0.44) ESR1ELANETSHRMAPK1SMN1; SMN2

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-20240241441-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