SCHEMBL28831277

SCHEMBL28831277

CCCCOC(=O)C(C)Oc1ccc(Cl)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TRPM4 Q8TD43 1/20 0.49
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL27476189 1.00 TSHR (0.62) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL28440170 0.95 TSHR (0.59) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL22714256 0.95 TSHR (0.59) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL28486513 0.95 TSHR (0.59) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL29939975 0.95 TSHR (0.59) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL9680623 0.93 TSHR (0.56) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL28257486 0.88 ALDH1A1 (0.62) TSHRSMN1; SMN2LMNAMAPTHTT
SCHEMBL30754255 0.88 TSHR (0.70) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL21056076 0.88 TSHR (0.70) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL11874266 0.88 TSHR (0.70) TSHRHTR2AHTR2CHTR2BSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114015254-B Modified asphalt with root resistance effect and preparation method thereof 湖北工业大学 2022-08-30 CN claimed
CN-114015254-A Modified asphalt with root resistance effect and preparation method thereof 湖北工业大学 2022-02-08 CN claimed
CN-114015254-B Modified asphalt with root resistance effect and preparation method thereof 湖北工业大学 2022-08-30 CN disclosed
CN-114015254-A Modified asphalt with root resistance effect and preparation method thereof 湖北工业大学 2022-02-08 CN disclosed