SCHEMBL28409674

SCHEMBL28409674

CC(C)(C)C(=O)P(C)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
CFTR P13569 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 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
SCHEMBL5043559 0.81 TSHR (0.47) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL67541 0.81 TSHR (0.47) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL1735174 0.79 CFTR (0.48) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL14198456 0.78 TSHR (0.44) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL10954100 0.75 TSHR (0.41) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL57751 0.75 POLB (0.43) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL28417022 0.75 ALDH1A1 (0.43) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL28278080 0.72 ALDH1A1 (0.48) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL658529 0.71 TSHR (0.41) TSHRESR1ALDH1A1GAAMEN1
SCHEMBL57819 0.71 ALDH1A1 (0.53) TSHRALDH1A1GAAMEN1KMT2A

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
CN-112154167-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-12-29 CN disclosed
CN-111315828-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-06-19 CN disclosed