SCHEMBL7761672

SCHEMBL7761672

CCC[C@@H](CC)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.52
EPHX1 P07099 3/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 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
SIGMAR1 Q99720 1/20 0.31
PKM P14618 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL1094949 1.00 SHBG (0.52) SHBGEPHX1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9209307 0.98 SHBG (0.48) SHBGEPHX1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL23522672 0.90 SHBG (0.50) SHBGEPHX1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29016515 0.87 SHBG (0.46) SHBGEPHX1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL22803237 0.87
SCHEMBL9204725 0.86 SHBG (0.48) SHBGEPHX1ALDH1A1CYP1A2SIGMAR1
SCHEMBL5400953 0.85 SHBG (0.62) SHBGEPHX1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5496647 0.85 SHBG (0.46) SHBGEPHX1CYP1A2SIGMAR1
SCHEMBL9207753 0.84 SHBG (0.44) SHBGALDH1A1SMN1; SMN2CYP1A2SIGMAR1
SCHEMBL2995250 0.83 SHBG (0.45) SHBGEPHX1CYP1A2SIGMAR1

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
WO-2001083578-A1 MULTICOMPONENT COATING, ADHESIVE AND SEALING MATERIALS AND THE UTILIZATION THEREOF BASF COATINGS AG (DE) 2001-11-08 WO disclosed
EP-1135425-A1 COATING AGENT COMPRISED OF AT LEAST THREE CONSTITUENTS, METHOD FOR THE PRODUCTION THEREOF, AND ITS USE BASF Coatings AG (DE) 2001-09-26 EP disclosed
WO-2000032667-A1 COATING AGENT COMPRISED OF AT LEAST THREE CONSTITUENTS, METHOD FOR THE PRODUCTION THEREOF, AND ITS USE BASF COATINGS AG (DE) 2000-06-08 WO disclosed