SCHEMBL12758248

SCHEMBL12758248

C=CCN(/C=C/C=C(/C#N)C(=O)OCCCCCCCCCCCC)CC=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ ZDHHC20 Q5W0Z9 2/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL12294062 0.88 MEN1 (0.41) TSHRMEN1LMNAGAAMAPT
SCHEMBL12292872 0.88 MEN1 (0.41) TSHRMEN1LMNAGAAMAPT
SCHEMBL13609916 0.88 MEN1 (0.41) TSHRMEN1LMNAGAAMAPT
SCHEMBL12292861 0.88 MEN1 (0.41) TSHRMEN1LMNAGAAMAPT
SCHEMBL14261087 0.88 MEN1 (0.41) TSHRMEN1LMNAGAAMAPT
SCHEMBL12758241 0.86 CYP2C9 (0.41) TSHRMEN1LMNAGAAMAPT
SCHEMBL21470241 0.86 MEN1 (0.41) TSHRMEN1LMNAGAAMAPT
SCHEMBL15478425 0.85 ZDHHC20 (0.40) TSHRMEN1LMNAGAAMAPT
SCHEMBL16328969 0.85 ZDHHC20 (0.40) TSHRMEN1LMNAGAAMAPT
SCHEMBL2370992 0.85 CYP2C9 (0.47) TSHRMEN1LMNAGAAMAPT

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-20110057155-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — US disclosed
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