SCHEMBL25868776

SCHEMBL25868776

C=C(OCO)c1ccc(C(C)CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
TRPA1 O75762 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL25868778 0.82 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL23898835 0.79 TSHR (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL8779349 0.77 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL23701495 0.76 TSHR (0.46) ALDH1A1TSHRTDP1CYP2C9GAA
SCHEMBL29303765 0.72 ALDH1A1 (0.40) ALDH1A1TSHRKMT2AMEN1TDP1
Hydrogen Peroxide SCHEMBL11434421 0.72 ALDH1A1 (0.59) ALDH1A1TSHRCYP2C9GAAMAPT
SCHEMBL598140 0.72 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9GAAMAPT
SCHEMBL6546812 0.71 MEN1 (0.47) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL1789210 0.70 CA1 (0.59) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL9111019 0.70 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AMEN1TDP1

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