SCHEMBL7429592

SCHEMBL7429592

CCC(O)CC(C1CCCCC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.48
EPHX1 P07099 3/20 0.43
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GMNN O75496 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 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
SCHEMBL7785979 0.78 SHBG (0.32) SHBG
SCHEMBL6518964 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA
SCHEMBL6522252 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA
SCHEMBL6526123 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA
SCHEMBL454466 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA
SCHEMBL4358257 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA
SCHEMBL6516950 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA
SCHEMBL6518230 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA
SCHEMBL11003896 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA
SCHEMBL6525997 0.76 SHBG (0.62) SHBGEPHX1TP53KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed