SCHEMBL8901951

SCHEMBL8901951

CCC1OC(C(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)c1ccccc1C3=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1A P35348 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 5/20 0.35
MAPK1 P28482 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
BRCA1 P38398 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
PAX8 Q06710 2/20 0.35
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35

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
SCHEMBL10788651 0.71 CHRM1 (0.42) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2
Hydrochloric Acid SCHEMBL10789177 0.70 CHRM1 (0.41) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2
SCHEMBL8901652 0.68 CYP1A2 (0.39) ADRA1AMAPTALOX15CYP1A2
SCHEMBL8901847 0.68 CHRM1 (0.41) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2
SCHEMBL8901942 0.67 SMN1; SMN2 (0.41) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2
SCHEMBL9755757 0.67 MAPT (0.41) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2
SCHEMBL10785294 0.66 CHRM1 (0.42) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2
SCHEMBL10785282 0.66 CHRM1 (0.42) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2
SCHEMBL11095510 0.64 CHRM1 (0.39) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2
SCHEMBL10862530 0.63 CHRM1 (0.46) CHRM1TBXA2RPTGS1ADRA1ASMN1; SMN2

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