SCHEMBL9738795

SCHEMBL9738795

CCOP(=O)(OCC)C1CCNC1=O.O=C(Cl)C(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CCR2 P41597 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.30

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
SCHEMBL9846466 0.91 GAA (0.34) TSHRCCR2POLBGAA
SCHEMBL5210522 0.81 CCR2 (0.35) TSHRCCR2POLBGAA
SCHEMBL22288208 0.66 KDM4E (0.31)
SCHEMBL13051347 0.63 ADRA2A (0.35) TSHRGAA
SCHEMBL923787 0.62 KDM4E (0.34) TSHR
SCHEMBL907623 0.62 MAPT (0.45) TSHRPOLBGAA
SCHEMBL19395652 0.60 TSHR (0.34) TSHRGAA
SCHEMBL31145894 0.59
SCHEMBL2210415 0.59 TSHR (0.37) TSHRGAA
SCHEMBL19395640 0.59 ADRA2A (0.33) TSHRGAA

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-5095013-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed