SCHEMBL9204096

SCHEMBL9204096

CCCCCCCCCCC(C)(C)NCCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.39
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GGPS1 O95749 6/20 0.35
PPARA Q07869 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
FDPS P14324 8/20 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
SCHEMBL9206085 1.00 EPHX1 (0.39) EPHX1TSHRTHRBALDH1A1GGPS1
SCHEMBL27743520 1.00 EPHX1 (0.39) EPHX1TSHRTHRBALDH1A1GGPS1
SCHEMBL9205901 1.00 EPHX1 (0.39) EPHX1TSHRTHRBALDH1A1GGPS1
SCHEMBL2937545 1.00 EPHX1 (0.39) EPHX1TSHRTHRBALDH1A1GGPS1
Hydrochloric Acid SCHEMBL28769674 0.98 EPHX1 (0.37) EPHX1TSHRTHRBALDH1A1GGPS1
SCHEMBL11416088 0.91 EPHX1 (0.44) EPHX1TSHRTHRBALDH1A1GGPS1
SCHEMBL21236821 0.91 EPHX1 (0.44) EPHX1TSHRTHRBALDH1A1GGPS1
SCHEMBL8755205 0.91 EPHX1 (0.44) EPHX1TSHRTHRBALDH1A1GGPS1
SCHEMBL22623546 0.91 EPHX1 (0.44) EPHX1TSHRTHRBALDH1A1GGPS1
SCHEMBL22436200 0.91 EPHX1 (0.39) EPHX1TSHRTHRBALDH1A1GGPS1

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