SCHEMBL25868778

SCHEMBL25868778

C=C(OC)c1ccc(C(C)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.44
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL25868776 0.82 ALDH1A1 (0.41) ALDH1A1MAPTGAATSHRCYP2C9
SCHEMBL8779349 0.80 ALDH1A1 (0.50) ALDH1A1MAPTGAATSHRCYP2C9
SCHEMBL23701495 0.79 TSHR (0.46) ALDH1A1MAPTGAATSHRCYP2C9
SCHEMBL1791209 0.78 L3MBTL1 (0.52) ALDH1A1MAPTTSHRCYP2C9NPSR1
SCHEMBL16684851 0.78 L3MBTL1 (0.52) ALDH1A1MAPTTSHRCYP2C9NPSR1
SCHEMBL16771512 0.76 CA12 (0.32) MAPTNPSR1NPC1RAB9ATDP1
Hydrogen Peroxide SCHEMBL11434421 0.75 ALDH1A1 (0.59) ALDH1A1MAPTGAATSHRCYP2C9
SCHEMBL598140 0.74 ALDH1A1 (0.52) ALDH1A1MAPTGAATSHRCYP2C9
SCHEMBL6546812 0.74 MEN1 (0.47) ALDH1A1MAPTGAATSHRCYP2C9
SCHEMBL11990190 0.73 MLYCD (0.53) ALDH1A1MAPTTSHRCYP2C9TP53

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
US-11703765-B2 Photoresist composition and method of manufacturing a semiconductor device TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2023-07-18 US disclosed