Sugi Predict

Sugi Predict / Compounds / SCHEMBL1110046

SCHEMBL1110046

SCHEMBL1110046

CCCCCCCCC(CC)(CC)CS

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ GGPS1 O95749 6/20 0.37
▸ FDPS P14324 9/20 0.35
▸ SMPD1 P17405 2/20 0.34
▸ CES2 O00748 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR3 Q9UBY5 1/20 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
SCHEMBL3416568 0.90 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL8203941 0.90 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL14150218 0.87 TSHR (0.39) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1116260 0.84 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL21925326 0.84 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1116250 0.84 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1116068 0.84 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL8082452 0.84 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1115958 0.84 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1116251 0.84 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1

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-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 — — EP disclosed