SCHEMBL28490207

SCHEMBL28490207

Cc1cc(O)ccc1C(C)C.Oc1ccc(Cl)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
CHRM1 P11229 2/20 0.41
ADRA1A P35348 2/20 0.41
HTR2B P41595 2/20 0.41
TRPA1 O75762 1/20 0.41
SLC6A2 P23975 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL133674 0.82 HTR2B (0.50) LMNACHRM1ADRA1AHTR2BTRPA1
SCHEMBL29366027 0.82 HTR2B (0.50) LMNACHRM1ADRA1AHTR2BTRPA1
SCHEMBL27564626 0.80 HTR2B (0.48) LMNACHRM1ADRA1AHTR2BTRPA1
Hydrochloric Acid SCHEMBL7078662 0.80 HTR2B (0.48) LMNACHRM1ADRA1AHTR2BTRPA1
Hydrochloric Acid SCHEMBL6039804 0.79 LMNA (0.47) LMNACHRM1ADRA1AHTR2BTRPA1
Hydrogen Peroxide SCHEMBL29099641 0.79 HTR2B (0.51) LMNACHRM1ADRA1AHTR2BTRPA1
Clorophene SCHEMBL7738869 0.79 MEN1 (0.63) LMNAMEN1KMT2AHPGDHTT
SCHEMBL1911434 0.78 LMNA (0.48) LMNACHRM1ADRA1AHTR2BTRPA1
SCHEMBL10053115 0.77 LMNA (0.59) LMNACHRM1ADRA1AHTR2BTRPA1
Thymol SCHEMBL6354749 0.73 LMNA (0.72) LMNACHRM1ADRA1AHTR2BTRPA1

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-112118831-A Tabletted chewing gum suitable for active pharmaceutical ingredients 费尔廷制药公司 2020-12-22 CN disclosed