SCHEMBL9700851

SCHEMBL9700851

CCCCCC(O)(CCCCC)C(C)CCl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.38
GGPS1 O95749 6/20 0.38
SMPD1 P17405 2/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8639838 0.84 TSHR (0.31) FDPSGGPS1TSHR
SCHEMBL8517649 0.80 OPRM1 (0.41) FDPSGGPS1
SCHEMBL1537949 0.78 FDPS (0.38) FDPSGGPS1SMPD1
SCHEMBL27934711 0.75 FDPS (0.45) FDPSGGPS1SMPD1TSHR
SCHEMBL27916083 0.75 FDPS (0.45) FDPSGGPS1SMPD1TSHR
SCHEMBL10372767 0.75 FDPS (0.41) FDPSGGPS1SMPD1
SCHEMBL10372768 0.75 FDPS (0.41) FDPSGGPS1SMPD1
SCHEMBL30454214 0.73 FDPS (0.43) FDPSGGPS1SMPD1TSHR
SCHEMBL27557652 0.73 FDPS (0.43) FDPSGGPS1SMPD1TSHR
SCHEMBL8852360 0.73 FDPS (0.43) FDPSGGPS1SMPD1TSHR

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
EP-0506331-A1 4\"-and 4'-alkylthio-avermectin derivatives MERCK & CO. INC. (US) 1992-09-30 EP disclosed