SCHEMBL9815002

SCHEMBL9815002

CCOP(=O)(Cc1ccccc1OCc1ccccc1)ON(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
ABCB1 P08183 3/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
APP P05067 1/20 0.38
DRD1 P21728 1/20 0.38
DRD3 P35462 1/20 0.38
MGLL Q99685 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 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
SCHEMBL9814951 0.88 HTR1A (0.51) GAAHTR1ADRD2ALPGPTK2B
SCHEMBL9815055 0.78 GAA (0.49) GAAHTR1ADRD2ALPGPTK2B
SCHEMBL6254663 0.74 PTGER1 (0.51) PTGER1MEN1KMT2A
SCHEMBL9169993 0.73 HTR1A (0.40) GAAHTR1ADRD2ALPGPTK2B
SCHEMBL9814998 0.72 DRD2 (0.54) GAAHTR1ADRD2ALPGPTK2B
SCHEMBL1894256 0.72 HTR1A (0.67) GAAHTR1ADRD2ALPGPTK2B
SCHEMBL27684390 0.71 APP (0.39) GAAALPGPTK2BABCB1APP
SCHEMBL19986739 0.71 MRGPRX4 (0.44) GAAHTR1ADRD2ALPGPTK2B
SCHEMBL914480 0.71 L3MBTL1 (0.53) MAPTL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL27714342 0.70 HTR1A (0.65) GAAHTR1ADRD2ALPGPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295729-B1 INTRAMOLECULAR NUCLEOPHILIC DISPLACEMENT COMPOUND AND USE IN PHOTOGRAPHY AGFA-GEVAERT N.V. (BE) 1991-09-04 EP disclosed
US-4912028-A Alkali permeable hydrophilic colloid AGFA-GEVAERT, N.V. (BE) 1990-03-27 US disclosed
EP-0295729-A1 Intramolecular nucleophilic displacement compound and use in photography AGFA-GEVAERT N.V. (BE) 1988-12-21 EP disclosed