SCHEMBL9795394

SCHEMBL9795394

c1ccc(COCc2ccc(COCc3ccccc3)cc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.94
IDO1 P14902 2/20 0.57
AGXT P21549 2/20 0.55
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
TACR1 P25103 2/20 0.48
CALM1 P0DP23 1/20 0.47
LTA4H P09960 1/20 0.47
BCHE P06276 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL27380 0.97 TSHR (1.00) TSHRIDO1AGXTCA1CA2
SCHEMBL5311581 0.97 TSHR (1.00) TSHRIDO1AGXTCA1CA2
SCHEMBL9725547 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL1009266 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Water SCHEMBL15535487 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Calcium SCHEMBL2864550 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Potassium SCHEMBL586337 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL9491202 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL10317949 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Methane SCHEMBL11192510 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2

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
JP-3081187-A None JP disclosed
JP-H0381187-A THERMAL RECORDING MATERIAL MITSUBISHI PETROCHEM CO LTD 1991-04-05 JP disclosed