SCHEMBL23685673

SCHEMBL23685673

CCC(N)C1CCCCCCCCCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.56
EPHX1 P07099 3/20 0.44
DPP4 P27487 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2257328 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL25949959 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL5908926 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL5712005 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL23842922 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
SCHEMBL29008423 1.00 SHBG (0.56) SHBGEPHX1DPP4TP53KDM4E
Hydrochloric Acid SCHEMBL6848858 0.97 SHBG (0.54) SHBGEPHX1DPP4TP53KDM4E
Hydrochloric Acid SCHEMBL20302411 0.97 SHBG (0.54) SHBGEPHX1DPP4TP53KDM4E
Ammonia Solution, Strong SCHEMBL1560591 0.97 SHBG (0.54) SHBGEPHX1DPP4TP53KDM4E
Hydrochloric Acid SCHEMBL1356288 0.97 SHBG (0.54) SHBGEPHX1DPP4TP53KDM4E

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-20210230697-A1 GENOME-WIDE CLASSIFIERS FOR DETECTION OF SUBACUTE TRANSPLANT REJECTION AND OTHER TRANSPLANT CONDITIONS THE SCRIPPS RESEARCH INSTITUTE 2021-07-29 US disclosed