SCHEMBL11670331

SCHEMBL11670331

C[C](C)SC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.30
PHGDH O43175 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
SCHEMBL8789579 0.78 CES2 (0.38) TSHR
SCHEMBL8788775 0.78 CES2 (0.38) TSHR
SCHEMBL2142264 0.78 CES2 (0.38) TSHR
SCHEMBL11956974 0.74
SCHEMBL8698845 0.74 SLC2A1 (0.32)
SCHEMBL8702420 0.74 SLC2A1 (0.32)
SCHEMBL172020 0.71 CES2 (0.32)
SCHEMBL25974005 0.71 NOS2 (0.33) MGLL
SCHEMBL3075371 0.71 CES2 (0.41) TSHRGAACA1CA2MGLL
SCHEMBL3074321 0.71 MGLL (0.42) GAACA1CA2MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4059699-A O,O-diethyl-O-carboxamidophosphate esters and use to combat insects and mites GULF OIL CORPORATION (US) 1977-11-22 US claimed
US-3994997-A MITICIDES, INSECTICIDES GULF OIL CORPORATION (US) 1976-11-30 US claimed
US-4059699-A O,O-diethyl-O-carboxamidophosphate esters and use to combat insects and mites GULF OIL CORPORATION (US) 1977-11-22 US disclosed
US-4059699-A O,O-diethyl-O-carboxamidophosphate esters and use to combat insects and mites GULF OIL CORPORATION (US) 1977-11-22 US disclosed
US-3994997-A MITICIDES, INSECTICIDES GULF OIL CORPORATION (US) 1976-11-30 US disclosed
US-3994997-A MITICIDES, INSECTICIDES GULF OIL CORPORATION (US) 1976-11-30 US disclosed