SCHEMBL10606243

SCHEMBL10606243

CCCCCCCCCCCCCCCCCCCCCCC(=Cc1cc(OC)c(OC)c(OC)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.52
HTR2C P28335 3/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52
APEX1 P27695 3/20 0.51
PPARG P37231 2/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TOP2A P11388 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10610363 1.00 HTR1A (0.52) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL28310756 0.94 ALOX5 (0.51) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL28310745 0.89 HTR1A (0.50) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL10610974 0.83 HTR1A (0.61) HTR1AALOX5ALDH1A1HPGDCYP1A2
SCHEMBL29484327 0.83 HTR1A (0.61) HTR1AALOX5ALDH1A1HPGDCYP1A2
SCHEMBL10608581 0.83 HTR1A (0.61) HTR1AALOX5ALDH1A1HPGDCYP1A2
SCHEMBL28310737 0.83 HTR1A (0.53) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL38662595 0.81 APEX1 (0.48) HTR1AAPEX1PPARGPTGESALOX5
SCHEMBL10611064 0.81 HTR1A (0.49) HTR1AAPEX1ALDH1A1TOP2ACYP1A2
SCHEMBL9440566 0.80 POLB (0.40) HTR1AHTR2CHTR2ASLC6A4HTR7

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
EP-0174064-B1 COMPOSITIONS AND COMPOUNDS FOR THE TREATMENT OF PROSTATIC ADENOMA INVERNI DELLA BEFFA S.P.A. (IT) 1989-12-06 EP claimed