SCHEMBL8897612

SCHEMBL8897612

CCCC[CH]C(=O)OC(C)C1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
NAAA Q02083 2/20 0.36
EPHX1 P07099 9/20 0.36
EPHX2 P34913 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL8895469 0.95 TSHR (0.40) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8894011 0.95 TSHR (0.40) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8894746 0.94 TSHR (0.42) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8895127 0.94 TSHR (0.42) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8894758 0.94 TSHR (0.42) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8897575 0.94 TSHR (0.42) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8896202 0.94 TSHR (0.42) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8894879 0.94 TSHR (0.42) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8895539 0.94 TSHR (0.42) TSHRCTSLCTSBCTSKNAAA
SCHEMBL8893905 0.94 TSHR (0.42) TSHRCTSLCTSBCTSKNAAA

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed