SCHEMBL8669243

SCHEMBL8669243

[CH2]CC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
TSHR P16473 1/20 0.56
TACR1 P25103 3/20 0.50
SLC1A1 P43005 1/20 0.44
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
HTT P42858 1/20 0.41
AGXT P21549 1/20 0.40

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
SCHEMBL21848157 0.87 TSHR (0.67) CA1CA2CA7CA9TSHR
SCHEMBL21239583 0.81 TSHR (0.58) CA1CA2CA7CA9TSHR
SCHEMBL3598592 0.80 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL10463126 0.79 TSHR (0.56) CA1CA2CA7CA9TSHR
SCHEMBL18762437 0.79 TSHR (0.56) CA1CA2CA7CA9TSHR
SCHEMBL12847428 0.79 TSHR (0.56) CA1CA2CA7CA9TSHR
SCHEMBL14453897 0.79 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL10463016 0.79 TSHR (0.56) CA1CA2CA7CA9TSHR
SCHEMBL1865158 0.79 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL19250814 0.79 TSHR (0.56) CA1CA2CA7CA9TSHR

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-5786359-A IMMUNOSTIMULANTS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-07-28 US disclosed