SCHEMBL9213660

SCHEMBL9213660

CCCCCCCCCCCCCCCCCC(C)(C)NCC

nearest known ligand 0.40

Predicted protein targets (top 9)

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
EPHX1 P07099 1/20 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
SCHEMBL27848911 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL8854153 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL8854171 0.97 TSHR (0.35) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL21370739 0.90 TSHR (0.33) TSHRTHRBFDPS
SCHEMBL9209416 0.88 FAAH (0.45)
Phosphoric Acid SCHEMBL28595612 0.88 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL9214931 0.88 FAAH (0.45)
SCHEMBL9210731 0.88 FAAH (0.45)
SCHEMBL9203676 0.88 FAAH (0.45)
SCHEMBL9206205 0.83 FAAH (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed