SCHEMBL13989153

SCHEMBL13989153

CCOC(P)(OCC)c1ccc(CP(=O)(OCC)OCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ CCNT1 O60563 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PGK1 P00558 1/20 0.32
▸ PGK2 P07205 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ PTK2 Q05397 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ ADRB3 P13945 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
SCHEMBL3375825 0.81 TSHR (0.50) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL22921004 0.80 EPHX2 (0.42) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL1353297 0.79 HDAC1 (0.42) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL13059994 0.76 NPY5R (0.42) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL16062693 0.76 POLB (0.46) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL2493713 0.76 TSHR (0.44) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL23822678 0.74 TSHR (0.43) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL915242 0.74 TSHR (0.43) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL25923558 0.74 TSHR (0.43) HDAC1NPY5RCCNT1CDK9TSHR
SCHEMBL916542 0.74 ESR1 (0.48) HDAC1NPY5RTSHRPOLBEGFR

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-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 — — US disclosed
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