SCHEMBL25753062

SCHEMBL25753062

CCCCC(CCCC)COCCOCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
THRB P10828 1/20 0.55
MAPT P10636 1/20 0.55
CYP3A4 P08684 4/20 0.50
ALDH1A1 P00352 4/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
USP2 O75604 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.39
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL31601718 0.96 MEN1 (0.57) TSHRMEN1KMT2AHTTTHRB
SCHEMBL31601885 0.96 TSHR (0.52) TSHRMEN1KMT2AHTTTHRB
SCHEMBL31602017 0.96 TSHR (0.54) TSHRMEN1KMT2AHTTTHRB
SCHEMBL3997202 0.92 CYP3A4 (0.61) TSHRMEN1KMT2AHTTTHRB
SCHEMBL7086439 0.92 MEN1 (0.62) TSHRMEN1KMT2AHTTTHRB
SCHEMBL4005241 0.92 CYP3A4 (0.61) TSHRMEN1KMT2AHTTTHRB
SCHEMBL10121422 0.92 MEN1 (0.62) TSHRMEN1KMT2AHTTTHRB
SCHEMBL10121424 0.92 MEN1 (0.62) TSHRMEN1KMT2AHTTTHRB
SCHEMBL3997312 0.92 CYP3A4 (0.61) TSHRMEN1KMT2AHTTTHRB
SCHEMBL12777707 0.92 MEN1 (0.62) TSHRMEN1KMT2AHTTTHRB

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
CN-120065654-A Aqueous developer composition for flexographic printing plate and method for producing flexographic printing plate 旭化成株式会社 2025-05-30 CN disclosed
US-20230193067-A1 METAL OXIDE COMPOSITION, LIGHT-EMITTING DEVICE USING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed