SCHEMBL20628803

SCHEMBL20628803

Cc1nn(Cc2cc(OC(F)(F)F)ccc2OCC(C)C)c2ccc(C(O)O)cc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 13/20 0.38
▸ TACR1 P25103 3/20 0.35
▸ ELANE P08246 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL15076242 0.86 RORC (0.45) PTGER1ELANEPPARG
SCHEMBL20629013 0.84 PTGER1 (0.54) PTGER1
SCHEMBL15076257 0.73 PTGER1 (0.44) PTGER1
SCHEMBL22728618 0.72 PTGER1 (0.39) PTGER1TACR1
SCHEMBL15054725 0.71 FOS (0.41) PTGER1TACR1PPARD
SCHEMBL15057237 0.70 RORC (0.42) PTGER1PPARDPPARG
SCHEMBL15057643 0.70 PTGER1 (0.42) PTGER1
SCHEMBL15057366 0.70 EPHX2 (0.41) PTGER1PPARG
SCHEMBL15076266 0.69 PTGER1 (0.57) PTGER1
SCHEMBL15053916 0.69 PTGER1 (0.46) PTGER1

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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