SCHEMBL28264397

SCHEMBL28264397

CCCC(O)Oc1cccc2c1OCO2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MTNR1B P49286 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
LMNA P02545 1/20 0.35
AOC3 Q16853 1/20 0.35
POLB P06746 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL5871761 0.79 HTR2A (0.37) MTNR1AALDH1A1CYP3A4MGAMAMY1A
SCHEMBL28866463 0.75 MGAM (0.41) MTNR1AALDH1A1MGAMAMY1AGAA
SCHEMBL28252102 0.74 MTNR1A (0.41) MTNR1AALDH1A1CYP3A4MGAMAMY1A
SCHEMBL13534203 0.73 AOC3 (0.54) MTNR1AALDH1A1CYP3A4MGAMAMY1A
SCHEMBL20398211 0.73 AOC3 (0.36) LMNAAOC3TAS1R3TAS1R1
SCHEMBL23209724 0.73 ALDH1A1 (0.49) ALDH1A1GAALMNA
SCHEMBL5238749 0.73 MTNR1A (0.47) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL13534270 0.73 MTNR1A (0.50) MTNR1AALDH1A1CYP3A4MTNR1BAOC3
SCHEMBL10339701 0.72 MTNR1A (0.50) MTNR1AALDH1A1CYP3A4LMNAAOC3
SCHEMBL27936083 0.71 ALDH1A1 (0.37) MTNR1AALDH1A1MGAMAMY1AGAA

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-108947799-A A kind of preparation method of chlorobenzene oxycarboxylic acid 山东润博生物科技有限公司 2018-12-07 CN disclosed