SCHEMBL5689461

SCHEMBL5689461

COc1ccccc1CPCc1ccccc1OC.[Na]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.59
CHRM1 P11229 2/20 0.59
IDO1 P14902 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
SIGMAR1 Q99720 1/20 0.48
AOC3 Q16853 1/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRM3 P20309 1/20 0.47

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
SCHEMBL5848564 0.98 IDO1 (0.57) CHRM2CHRM1IDO1TAAR1CA1
SCHEMBL5689454 0.95 IDO1 (0.55) CHRM2CHRM1IDO1TAAR1CA1
Hydrochloric Acid SCHEMBL2493335 0.95 IDO1 (0.59) CHRM2CHRM1IDO1TAAR1CA1
SCHEMBL11197258 0.89 IDO1 (0.53) CHRM2CHRM1IDO1TAAR1CA1
SCHEMBL5158268 0.88 ABCB1 (0.51) CHRM2CHRM1IDO1TAAR1CA1
SCHEMBL5689625 0.85 IDO1 (0.50) CHRM2CHRM1IDO1TAAR1CA1
SCHEMBL7765798 0.84 IDO1 (0.48) CHRM2CHRM1IDO1TAAR1CA1
SCHEMBL27808126 0.82 IDO1 (0.55) CHRM2CHRM1IDO1TAAR1CA1
SCHEMBL3296809 0.78 IDO1 (0.61) CHRM2CHRM1IDO1TAAR1CA1
SCHEMBL28858018 0.78 TAAR1 (0.75) CHRM2CHRM1IDO1TAAR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1671976-B1 Process for the preparation of phosphorus-containing compounds and their intermediates STANFORD RES INST INT (US) 2014-12-03 EP disclosed
US-7067701-B2 Preparation of phosphorus-containing compounds useful in the preparation of biphosphine ligands SRI INTERNATIONAL (US) 2006-06-27 US disclosed
EP-1671976-A1 Process for the preparation of phosphorus-containing compounds and their intermediates Sri International (US) 2006-06-21 EP disclosed
EP-1102771-B1 PREPARATION OF ORGANOLITHIUM AND ORGANOPHOSPHORUS DERIVATIVES STANFORD RES INST INT (US) 2006-05-03 EP disclosed
US-20040147785-A1 Preparation of phosphorus-containing compounds useful in the preparation of biphosphine ligands VAN GINKEL ROELOF (NL) 2004-07-29 US disclosed
US-6720442-B2 REACTION LITHIUM PHOSPHINE COMPOUND WITH DIHALPHOSPHINE COMPOUND SRI INTERNATIONAL 2004-04-13 US disclosed
US-20030109754-A1 Preparation of phosphorus-containing compounds useful in the preparation of biphosphine ligands VAN GINKEL ROELOF (NL) 2003-06-12 US disclosed
US-6548708-B1 Reacting phosphineamine, oxyphosphine or thiophosphine with organic halide; forming polymerization catalyst complexes to make carbon monoxide-A-olefin copolymers SRI INTERNATIONAL 2003-04-15 US disclosed