SCHEMBL7098833

SCHEMBL7098833

C=C(C)[C@H](O)C(C)C(O)C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.32
SLC7A5 Q01650 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
SCHEMBL6810586 1.00 TP53 (0.36) TP53TSHRSLC7A5
SCHEMBL18033707 0.81
SCHEMBL8583868 0.76 TP53 (0.47) TP53TSHRSLC7A5
SCHEMBL8583856 0.76 TP53 (0.47) TP53TSHRSLC7A5
SCHEMBL5675218 0.76 TP53 (0.47) TP53TSHRSLC7A5
SCHEMBL12951567 0.75 TP53 (0.60) TP53TSHRSLC7A5
SCHEMBL14905652 0.74 TP53 (0.31) TP53
SCHEMBL1261744 0.69 TP53 (0.50) TP53TSHRSLC7A5
SCHEMBL18211012 0.69 TP53 (0.50) TP53TSHRSLC7A5
SCHEMBL18033706 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307579-A2 BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES Kosan Biosciences, Inc. (US) 2003-05-07 EP disclosed
WO-2002012534-A2 BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES KOSAN BIOSCIENCES, INC. (US) 2002-02-14 WO disclosed