SCHEMBL18898352

SCHEMBL18898352

CC(C)C(C)CC(C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
EPHX1 P07099 1/20 0.36
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL748900 0.85 SHBG (0.48) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL8076025 0.80 SHBG (0.44) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL2419110 0.80 SHBG (0.44) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL8939611 0.79 SHBG (0.50) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL4653053 0.77 SHBG (0.40) SHBGEPHX1TP53IDO1TDO2
SCHEMBL6014415 0.76 EPHX1 (0.41) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL20600325 0.76 SHBG (0.41) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL20049927 0.76 SHBG (0.41) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL26986871 0.76 TP53 (0.43) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL3000277 0.74 SHBG (0.39) SHBGEPHX1TP53KDM4EGMNN

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-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed