SCHEMBL19970637

SCHEMBL19970637

COc1cc(C(=O)O)ccc1OCCCCCCCO

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
PRSS1 P07477 3/20 0.60
PLA2G4B P0C869 1/20 0.60
MRGPRX4 Q96LA9 1/20 0.57
MAPT P10636 1/20 0.55
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
SMPD1 P17405 1/20 0.54

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
SCHEMBL19970622 1.00 TSHR (0.68) TSHRCA12CA1CA2CA4
SCHEMBL7751323 1.00 TSHR (0.68) TSHRCA12CA1CA2CA4
SCHEMBL19970616 0.98 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL620892 0.95 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL30622523 0.95 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL21614005 0.94 TSHR (0.76) TSHRCA12CA1CA2CA4
SCHEMBL8122418 0.92 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL617974 0.91 TSHR (0.71) TSHRCA12CA1CA2CA4
SCHEMBL30622549 0.91 TSHR (0.71) TSHRCA12CA1CA2CA4
SCHEMBL8814503 0.91 POLB (0.56) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351667-B2 Method for producing polyester RIKEN (JP) 2019-07-16 US disclosed
US-20180086879-A1 METHOD FOR PRODUCING POLYESTER RIKEN (JP) 2018-03-29 US disclosed
EP-3296342-A1 METHOD FOR PRODUCING POLYESTER Riken (JP) 2018-03-21 EP disclosed