SCHEMBL9213591

SCHEMBL9213591

[CH2]CCC([CH2])C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9213385 0.97 EPHX1 (0.33) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL9206468 0.86 EPHX1 (0.34) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL9204416 0.84 EPHX1 (0.33) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL9213422 0.83 EPHX1 (0.31) EPHX1SHBG
SCHEMBL9214843 0.82 EPHX1 (0.32) EPHX1SHBGTP53
SCHEMBL9209420 0.82 EPHX1 (0.32) EPHX1SHBGTP53
SCHEMBL9213058 0.82 EPHX1 (0.32) EPHX1SHBGTP53
SCHEMBL9213833 0.81 EPHX1 (0.30) EPHX1SHBG
SCHEMBL9211700 0.79
SCHEMBL9202932 0.79

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