SCHEMBL9204151

SCHEMBL9204151

CCCCCCCCC([NH])(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
FDPS P14324 9/20 0.38
DNM1 Q05193 1/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL9203942 1.00 GGPS1 (0.44) GGPS1TSHRTHRBFDPSDNM1
SCHEMBL9206221 1.00 GGPS1 (0.44) GGPS1TSHRTHRBFDPSDNM1
SCHEMBL9204177 1.00 GGPS1 (0.44) GGPS1TSHRTHRBFDPSDNM1
SCHEMBL9205914 1.00 GGPS1 (0.44) GGPS1TSHRTHRBFDPSDNM1
SCHEMBL9204390 1.00 GGPS1 (0.44) GGPS1TSHRTHRBFDPSDNM1
SCHEMBL9206149 1.00 GGPS1 (0.44) GGPS1TSHRTHRBFDPSDNM1
SCHEMBL9215745 1.00 GGPS1 (0.44) GGPS1TSHRTHRBFDPSDNM1
SCHEMBL9213370 0.97 GGPS1 (0.41) GGPS1TSHRTHRBFDPSDNM1
SCHEMBL7700831 0.88 TSHR (0.50) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL7698972 0.88 TSHR (0.50) GGPS1TSHRTHRBFDPSSMPD1

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