Sugi Predict

Sugi Predict / Compounds / SCHEMBL13616877

SCHEMBL13616877

SCHEMBL13616877

CCCCCCC(C)(S)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ GGPS1 O95749 6/20 0.41
▸ FDPS P14324 9/20 0.39
▸ SMPD1 P17405 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ LPAR1 Q92633 1/20 0.38
▸ LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL21190196 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL20322408 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL22791728 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
Hydrochloric Acid SCHEMBL2468197 0.97 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL9562615 0.95 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL4542053 0.95 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL25922632 0.94 TSHR (0.39) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL18077303 0.89 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10999837 0.89 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL11042117 0.89 TSHR (0.42) 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
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 — — WO disclosed