SCHEMBL8901847

SCHEMBL8901847

CC(=O)C1Cc2c(O)c3c(c(O)c2CO1)C(=O)c1ccccc1C3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
ADRA1A P35348 1/20 0.41
MAPT P10636 7/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAOA P21397 4/20 0.39
MAPK1 P28482 4/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 3/20 0.39
RECQL P46063 3/20 0.39
DAPK1 P53355 3/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 2/20 0.39
CYP1B1 Q16678 2/20 0.39
HSD17B10 Q99714 2/20 0.39
BRCA1 P38398 2/20 0.39

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
SCHEMBL9755757 0.89 MAPT (0.41) CHRM1TBXA2RPTGS1ADRA1AMAPT
SCHEMBL8901942 0.83 SMN1; SMN2 (0.41) CHRM1TBXA2RPTGS1ADRA1AMAPT
SCHEMBL497017 0.77 MAPT (0.40) CHRM1TBXA2RPTGS1ADRA1AMAPT
SCHEMBL10789834 0.77 MAPT (0.40) CHRM1TBXA2RPTGS1ADRA1AMAPT
SCHEMBL8902037 0.76 AKT1 (0.44) MAPTMEN1KMT2AALDH1A1MAOA
SCHEMBL9755776 0.74 MAPT (0.37) CHRM1TBXA2RPTGS1ADRA1AMAPT
SCHEMBL8674210 0.70 CHRM1 (0.44) CHRM1TBXA2RPTGS1ADRA1AMAPT
SCHEMBL31745135 0.70 MAPT (0.44) CHRM1TBXA2RPTGS1ADRA1AMAPT
SCHEMBL11291057 0.70 MAPT (0.44) CHRM1TBXA2RPTGS1ADRA1AMAPT
SCHEMBL8901501 0.68 HSP90AA1 (0.46) MAPTMEN1KMT2AALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US claimed
US-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed