SCHEMBL3415852

SCHEMBL3415852

C=C(C)C(=O)OCCC1(O)C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3407069 0.90 TSHR (0.47) THRBTSHRALDH1A1CA1CA2
SCHEMBL75487 0.84 ALDH1A1 (0.41) THRBTSHRALDH1A1SMN1; SMN2
SCHEMBL5001405 0.78 MEN1 (0.56) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL15928282 0.78 ALDH1A1 (0.41) THRBTSHRALDH1A1
SCHEMBL1310160 0.76 ALDH1A1 (0.42) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL17928898 0.75 MEN1 (0.47) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL13383216 0.75 THRB (0.41) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL10027336 0.75 THRB (0.41) THRBTSHRALDH1A1CA1CA2
SCHEMBL18711365 0.75 THRB (0.38) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL2740753 0.74 CYP17A1 (0.43) THRBTSHRALDH1A1CA1CA2

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-20100233620-A1 Copolymer and photoresist composition including the same CHEIL INDUSTRIES, INC. (KR) 2010-09-16 US disclosed
WO-2009069848-A1 NOVEL COPOLYMERS AND PHOTORESIST COMPOSITION INCLUDING THE SAME CHEIL INDUSTRIES INC. (KR) 2009-06-04 WO disclosed