SCHEMBL1898068

SCHEMBL1898068

C=COC(=O)c1ccccc1CCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
CYP4F2 P78329 1/20 0.36

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
SCHEMBL1899456 0.86 HPGD (0.41) TSHRALDH1A1LMNASCN1ASCN2A
SCHEMBL985791 0.85 THRA (0.48) TSHRALDH1A1LMNASCN1ASCN2A
SCHEMBL385826 0.83 ALDH1A1 (0.64) TSHRALDH1A1LMNAKDM4EHPGD
SCHEMBL1896570 0.80 ALDH1A1 (0.44) TSHRALDH1A1LMNAKDM4ESCN1A
SCHEMBL9251505 0.80 CYP3A4 (0.44) TSHRALDH1A1LMNASCN1ASCN2A
SCHEMBL1900161 0.80 TSHR (0.47) TSHRALDH1A1LMNAKDM4ESCN1A
SCHEMBL7576211 0.79 ALDH1A1 (0.68) TSHRALDH1A1LMNASCN1ASCN2A
SCHEMBL1896070 0.79 ALDH1A1 (0.43) TSHRALDH1A1LMNASCN1ASCN2A
SCHEMBL4703927 0.79 FOLH1 (0.56) TSHRALDH1A1LMNAKDM4ECYP4F2
SCHEMBL27854477 0.77 TSHR (0.50) TSHRALDH1A1LMNAKDM4EHPGD

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed