SCHEMBL19944372

SCHEMBL19944372

C=C(C)C(=O)OC(COc1ccccc1)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
ELANE P08246 1/20 0.43
THRB P10828 1/20 0.43
AR P10275 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6880397 0.94 MTNR1A (0.46) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL4197201 0.94 MAPT (0.47) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL19944473 0.94 LTA4H (0.47) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL11957216 0.94 MTNR1A (0.46) MTNR1AMTNR1BLMNAPOLB
SCHEMBL28729088 0.94 MTNR1A (0.46) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL22417560 0.92 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL13991644 0.92 MTNR1A (0.47) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL14174342 0.92 MTNR1A (0.43) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL15385984 0.92 MTNR1A (0.43) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL6883461 0.92 PPARG (0.53) MTNR1AMTNR1BLMNAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279959-A Ophthalmic polymer material, method for the production and use thereof 康小林 2021-01-29 CN claimed
CN-114075122-B Hydrophilic azo compound and application thereof 康小林 2024-01-02 CN disclosed
CN-112279959-B Ophthalmic polymer material, method for the production and use thereof 康小林 2022-05-03 CN disclosed
CN-114075122-A Hydrophilic azo compound and application thereof 康小林 2022-02-22 CN disclosed
CN-112279959-A Ophthalmic polymer material, method for the production and use thereof 康小林 2021-01-29 CN disclosed
WO-2018041132-A1 MONOMER, POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 广东东阳光药业有限公司 2018-03-08 WO disclosed