SCHEMBL16730993

SCHEMBL16730993

CN(C)c1ccc2c(-c3ccc(C(=O)NCCOCCOc4ccc(CCCl)cc4)cc3C(=O)O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
ESR1 P03372 1/20 0.49
FOLH1 Q04609 1/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
GBA1 P04062 1/20 0.46
P2RY6 Q15077 1/20 0.45
ALB P02768 1/20 0.43
MAP3K5 Q99683 1/20 0.42

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
SCHEMBL9965265 0.92 HRH3 (0.62) HRH3CA12CA1CA2CA9
SCHEMBL4435583 0.90 ESR1 (0.58) ESR1FOLH1CA12CA1CA2
SCHEMBL18828933 0.85 ESR1 (0.61) ESR1FOLH1CA12CA1CA2
SCHEMBL14547382 0.84 ESR1 (0.58) ESR1FOLH1CA12CA1CA2
SCHEMBL4401285 0.81 HRH3 (0.59) HRH3CA12CA1CA2CA9
SCHEMBL9883095 0.80 HRH3 (0.49) HRH3FOLH1CA12CA1CA2
SCHEMBL4401282 0.79 FOLH1 (0.60) ESR1FOLH1CA12CA1CA2
SCHEMBL4405399 0.78 GBA1 (0.43) HRH3FOLH1CA12CA1CA2
SCHEMBL16561810 0.77 FOLH1 (0.62) ESR1FOLH1CA12CA1CA2
SCHEMBL18950724 0.77 FOLH1 (0.53) ESR1FOLH1CA12CA1CA2

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-20150140587-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE PROMEGA CORP (US) 2015-05-21 US disclosed