SCHEMBL9213370

SCHEMBL9213370

CCCCCC([NH])(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 7/20 0.41
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
FDPS P14324 11/20 0.36
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
DNM1 Q05193 1/20 0.33
SMPD1 P17405 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9204151 0.97 GGPS1 (0.44) GGPS1TSHRTHRBFDPSCES2
SCHEMBL9203942 0.97 GGPS1 (0.44) GGPS1TSHRTHRBFDPSCES2
SCHEMBL9204390 0.97 GGPS1 (0.44) GGPS1TSHRTHRBFDPSCES2
SCHEMBL9205914 0.97 GGPS1 (0.44) GGPS1TSHRTHRBFDPSCES2
SCHEMBL9204177 0.97 GGPS1 (0.44) GGPS1TSHRTHRBFDPSCES2
SCHEMBL9206149 0.97 GGPS1 (0.44) GGPS1TSHRTHRBFDPSCES2
SCHEMBL9215745 0.97 GGPS1 (0.44) GGPS1TSHRTHRBFDPSCES2
SCHEMBL9206221 0.97 GGPS1 (0.44) GGPS1TSHRTHRBFDPSCES2
SCHEMBL7698972 0.85 TSHR (0.50) GGPS1TSHRTHRBFDPSCES2
SCHEMBL7700831 0.85 TSHR (0.50) GGPS1TSHRTHRBFDPSCES2

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