SCHEMBL8956003

SCHEMBL8956003

CCCCCOc1cccc(OCCCCCO)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
PLA2G4B P0C869 4/20 0.58
SMPD1 P17405 3/20 0.57
GGPS1 O95749 2/20 0.54
NR5A1 Q13285 1/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
LTA4H P09960 1/20 0.51
PLA2G2A P14555 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.51
KMT2A Q03164 1/20 0.50

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
SCHEMBL8955720 1.00 TSHR (0.65) TSHRPLA2G4BSMPD1GGPS1NR5A1
SCHEMBL8955762 0.98 TSHR (0.62) TSHRPLA2G4BSMPD1GGPS1NR5A1
SCHEMBL8955723 0.96 TSHR (0.60) TSHRPLA2G4BSMPD1GGPS1NR5A1
SCHEMBL8955681 0.96 TSHR (0.65) TSHRPLA2G4BSMPD1GGPS1NR5A1
SCHEMBL8955665 0.95 TSHR (0.62) TSHRPLA2G4BSMPD1GGPS1NR5A1
SCHEMBL8956143 0.95 TSHR (0.57) TSHRPLA2G4BSMPD1NR5A1THRB
SCHEMBL4568921 0.93 KMT2A (0.58) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL4568928 0.91 KMT2A (0.60) TSHRPLA2G4BSMPD1GPBAR1KMT2A
SCHEMBL3905859 0.91 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1NR5A1
SCHEMBL4208924 0.91 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed