SCHEMBL14444580

SCHEMBL14444580

O=P(COP(=O)(OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ELANE P08246 1/20 0.44
CETP P11597 3/20 0.42
SRC P12931 1/20 0.40
IDO1 P14902 1/20 0.39
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
ALPG P10696 1/20 0.39
PTK2B Q14289 1/20 0.39
FOLH1 Q04609 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 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
SCHEMBL206609 0.88 TSHR (0.68) TSHRELANECETPSRCIDO1
SCHEMBL5379773 0.82 TSHR (0.61) TSHRELANECETPSRCIDO1
SCHEMBL14439823 0.81 TSHR (0.60) TSHRCETPSRCPDPK1MTOR
SCHEMBL20123381 0.80 TSHR (0.59) TSHRELANECETPSRCIDO1
SCHEMBL5327008 0.79 TSHR (0.63) TSHRCETPSRCIDO1PDPK1
SCHEMBL79996 0.79 TSHR (0.63) TSHRELANECETPSRCIDO1
SCHEMBL12239114 0.78 TSHR (0.62) TSHRELANECETPSRCPDPK1
SCHEMBL2301938 0.78 TSHR (0.57) TSHRELANECETPSRCIDO1
SCHEMBL218693 0.78 TSHR (0.57) TSHRELANECETPSRCIDO1
SCHEMBL2365443 0.78 TSHR (0.57) TSHRELANECETPSRCIDO1

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-7244718-B2 Water soluble prodrugs of hindered alcohols UNIVERSITY OF KANSAS (US) 2007-07-17 US disclosed