SCHEMBL20628648

SCHEMBL20628648

CC1(COc2ccc(Br)cc2Cn2ncc3cc(C(O)O)ccc32)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 16/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMO O15229 1/20 0.32
▸ CCR5 P51681 2/20 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
SCHEMBL20628990 0.86 PTGER1 (0.36) PTGER1CYP1A2CCR5
SCHEMBL15076237 0.84 PTGER1 (0.40) PTGER1CYP1A2KMO
SCHEMBL15076183 0.83 PTGER1 (0.35) PTGER1CYP1A2KMO
SCHEMBL20628651 0.77 KMO (0.38) PTGER1CYP1A2KMO
SCHEMBL20628789 0.76 KDM4E (0.41) PTGER1CCR5
SCHEMBL20629051 0.73 CCR5 (0.33) PTGER1CCR5
SCHEMBL15076168 0.69 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL20628877 0.69 PTGER1 (0.38) PTGER1CYP1A2
SCHEMBL15076256 0.69 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL20628633 0.68 RECQL (0.43) PTGER1CYP1A2CCR5

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
EP-3424904-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE Allergan, Inc. (US) 2019-01-09 — — EP disclosed
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