SCHEMBL14045008

SCHEMBL14045008

COC(=O)C(O)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TP53 P04637 1/20 0.45
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP2 P08253 2/20 0.40
CA9 Q16790 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL6592409 0.98 TP53 (0.47) THRBTP53SLC6A3ALDH1A1NPSR1
SCHEMBL3996792 0.98 TP53 (0.47) THRBTP53SLC6A3ALDH1A1NPSR1
SCHEMBL28755738 0.95 THRB (0.46) THRBTP53SLC6A3ALDH1A1NPSR1
SCHEMBL1485389 0.91
SCHEMBL11117724 0.81 EPHX1 (0.39) THRBTP53ALDH1A1SMN1; SMN2ADRB2
SCHEMBL18307376 0.81 SLC6A3 (0.46) THRBSLC6A3ALDH1A1SMN1; SMN2TSHR
SCHEMBL18502891 0.79 TP53 (0.47) THRBTP53SLC6A3ALDH1A1KMT2A
SCHEMBL4491334 0.79 THRB (0.61) THRBTP53SLC6A3ALDH1A1NPSR1
SCHEMBL15821270 0.79 EPHX1 (0.38) THRBTP53ALDH1A1SMN1; SMN2ADRB2
SCHEMBL12687878 0.78 TP53 (0.36) THRBTP53SLC6A3ALDH1A1SMN1; SMN2

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-20080261118-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed