SCHEMBL28221684

SCHEMBL28221684

CCc1c(C)cc(C)cc1C.O=Cc1ccccc1P=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 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
SCHEMBL27517808 0.84 NPSR1 (0.50) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL27808750 0.82 NPSR1 (0.49) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL27829273 0.82 NPSR1 (0.49) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL27682841 0.79 NPSR1 (0.48) ALDH1A1TSHRNPSR1MEN1KMT2A
Toluene SCHEMBL27635966 0.77 ALDH1A1 (0.47) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL25558993 0.77 LMNA (0.57) ALDH1A1TSHRMEN1KMT2ALMNA
Toluene SCHEMBL27867117 0.76 ALDH1A1 (0.45) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL27554066 0.74 TSHR (0.53) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL13714149 0.73 ERN1 (0.48) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL28928203 0.71 LMNA (0.50) ALDH1A1TSHRMEN1KMT2ALMNA

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
CN-108165091-A UV jet ink compositions 埃卡特有限公司 2018-06-15 — — CN disclosed
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