SCHEMBL30003935

SCHEMBL30003935

CCOCCOCCOCCCCCCCl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
THRB P10828 3/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 4/20 0.37
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
CES2 O00748 1/20 0.31

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
SCHEMBL14060706 1.00 TSHR (0.43) TSHRALDH1A1THRBMEN1HTT
SCHEMBL9921204 1.00 TSHR (0.43) TSHRALDH1A1THRBMEN1HTT
SCHEMBL31344068 1.00 TSHR (0.43) TSHRALDH1A1THRBMEN1HTT
SCHEMBL15270524 1.00 TSHR (0.43) TSHRALDH1A1THRBMEN1HTT
SCHEMBL11206243 1.00 TSHR (0.43) TSHRALDH1A1THRBMEN1HTT
SCHEMBL7136061 0.97 THRB (0.39) TSHRALDH1A1THRBMEN1HTT
SCHEMBL8923054 0.95 ALDH1A1 (0.48) TSHRALDH1A1THRBMEN1HTT
SCHEMBL6945403 0.95 ALDH1A1 (0.48) TSHRALDH1A1THRBMEN1HTT
SCHEMBL9298425 0.95 ALDH1A1 (0.48) TSHRALDH1A1THRBMEN1HTT
SCHEMBL22295741 0.95 ALDH1A1 (0.48) TSHRALDH1A1THRBMEN1HTT

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
WO-2022220581-A1 NOVEL COMPOUND TO BE PHOTO-CROSSLINKED BY VISIBLE LIGHT, AND USE THEREOF 서울대학교산학협력단 2022-10-20 WO disclosed