SCHEMBL28980937

SCHEMBL28980937

C=CC(=O)OCC(O)C(C)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.41
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
LMNA P02545 2/20 0.39
PSMB5 P28074 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11027850 0.87 THRB (0.54) THRBTSHRALDH1A1MTNR1AMTNR1B
SCHEMBL181493 0.84 TSHR (0.56) THRBTSHRALDH1A1MTNR1AMTNR1B
SCHEMBL19583227 0.83 THRB (0.50) THRBTSHRALDH1A1MTNR1AMTNR1B
SCHEMBL181503 0.82 THRB (0.55) THRBTSHRALDH1A1MTNR1AMTNR1B
SCHEMBL7146879 0.81 THRB (0.46) THRBTSHRALDH1A1MTNR1AMTNR1B
Diphenylether SCHEMBL6002228 0.81 THRB (0.54) THRBTSHRALDH1A1LMNAGAA
SCHEMBL28450602 0.80 THRB (0.57) THRBTSHRALDH1A1MTNR1AMTNR1B
SCHEMBL28816832 0.79 THRB (0.44) THRBTSHRALDH1A1LMNACYP1A2
SCHEMBL28880043 0.79 TSHR (0.46) THRBTSHRALDH1A1L3MBTL1
SCHEMBL28859164 0.78 THRB (0.51) THRBTSHRALDH1A1MTNR1AMTNR1B

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-114767549-A Photochromic dental composite material and preparation method thereof 日照沪鸽生物材料有限公司 2022-07-22 CN disclosed