SCHEMBL6903476

SCHEMBL6903476

Cc1cccc(OC=O)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.55
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTGER4 P35408 4/20 0.47
PTGER3 P43115 4/20 0.47
PTGER2 P43116 4/20 0.47
PTGER1 P34995 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
BCHE P06276 3/20 0.45
PTPN1 P18031 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44

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
SCHEMBL28842419 0.85 BCHE (0.58) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL19612388 0.84 L3MBTL1 (0.67) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL14176616 0.81 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL18716386 0.80 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL183812 0.79 CCNB2 (0.57) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL2579088 0.78 MAPT (0.59) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL2574855 0.78 PTGER4 (0.55) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL8896541 0.78 PTPN1 (0.72) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL19905553 0.76 PTGER4 (0.56) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL27704828 0.74 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BL3MBTL1

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-0900775-B1 PROCESS FOR PRODUCING CATECHOL DERIVATIVES DAISO CO LTD (JP) 2004-07-28 EP disclosed
US-6080895-A Process of producing catechol derivatives DAISO CO., LTD. (JP) 2000-06-27 US disclosed
EP-0900775-A1 PROCESS FOR PRODUCING CATECHOL DERIVATIVES DAISO CO., LTD. (JP) 1999-03-10 EP disclosed