SCHEMBL8955762

SCHEMBL8955762

CCCCCOc1cccc(OCCCCO)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
PLA2G4B P0C869 3/20 0.56
SMPD1 P17405 3/20 0.55
LTA4H P09960 1/20 0.53
GPBAR1 Q8TDU6 2/20 0.52
KMT2A Q03164 1/20 0.51
GGPS1 O95749 2/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
NR5A1 Q13285 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49

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 0.98 TSHR (0.65) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL8956003 0.98 TSHR (0.65) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL8956143 0.96 TSHR (0.57) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL8955665 0.96 TSHR (0.62) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL8955681 0.95 TSHR (0.65) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL8955723 0.95 TSHR (0.60) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL4568928 0.93 KMT2A (0.60) TSHRPLA2G4BSMPD1GPBAR1KMT2A
SCHEMBL4568921 0.91 KMT2A (0.58) TSHRPLA2G4BSMPD1GPBAR1KMT2A
SCHEMBL11663051 0.90 TSHR (0.72) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL8928374 0.90 PRSS1 (0.53) TSHR

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